#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3jyh n PRO 29 N 0.00 0.03 -2.59 -0.24 -0.02 -1.26 -4.93 135.00 125.99 3jyh n PRO 29 Ca 0.00 0.40 -0.07 0.00 -2.02 0.00 0.00 63.50 61.81 3jyh n PRO 29 Cb 0.00 -1.57 0.04 0.00 -0.02 0.00 0.00 33.50 31.94 3jyh n PRO 29 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 3jyh n GLY 30 N -0.71 0.13 3.72 -1.23 0.00 -1.26 -4.34 105.19 101.50 3jyh n GLY 30 Ca 0.02 -0.25 -0.42 0.00 0.00 0.00 0.00 46.02 45.37 3jyh n GLY 30 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3jyh s PHE 31 N -3.14 2.97 -0.14 1.61 0.08 -1.26 -4.72 117.98 113.37 3jyh s PHE 31 Ca 0.01 0.52 -0.15 0.00 0.12 0.00 0.00 56.93 57.43 3jyh s PHE 31 Cb -0.00 -4.03 -0.05 0.00 -0.57 0.00 0.00 43.02 38.37 3jyh s PHE 31 CO 0.29 -3.83 0.33 -0.65 -0.10 0.00 0.00 175.22 171.27 3jyh s GLN 32 N 0.99 4.23 -0.31 0.44 -1.52 0.56 -4.88 119.66 119.17 3jyh s GLN 32 Ca 0.71 0.18 -0.28 0.00 -1.95 0.00 0.00 55.36 54.02 3jyh s GLN 32 Cb -0.47 -3.41 0.01 0.00 -0.22 0.00 0.00 33.01 28.93 3jyh s GLN 32 CO 0.33 0.26 1.03 -2.00 -0.25 0.00 0.00 175.29 174.67 3jyh s GLU 33 N 0.36 4.06 0.33 2.91 2.12 -1.26 -1.37 118.70 125.84 3jyh s GLU 33 Ca 0.19 1.01 0.07 0.00 0.36 0.00 0.00 54.97 56.59 3jyh s GLU 33 Cb -0.14 -3.73 -0.06 0.00 0.26 0.00 0.00 34.13 30.46 3jyh s GLU 33 CO 0.06 -0.86 -0.04 1.03 -0.54 0.00 0.00 175.26 174.91 3jyh s ARG 34 N 3.53 1.72 -0.00 4.30 1.81 0.61 -5.01 118.95 125.90 3jyh s ARG 34 Ca 0.43 -1.91 0.05 0.00 -1.72 0.00 0.00 55.73 52.58 3jyh s ARG 34 Cb -0.13 -1.36 -0.01 0.00 -0.45 0.00 0.00 34.95 33.00 3jyh s ARG 34 CO 0.14 0.02 -0.15 -0.06 -0.68 0.00 0.00 175.30 174.57 3jyh s PHE 35 N -2.88 1.38 -0.11 -0.53 0.08 -1.26 -0.82 117.98 113.83 3jyh s PHE 35 Ca 0.32 -0.28 0.03 0.00 0.12 0.00 0.00 56.93 57.13 3jyh s PHE 35 Cb 0.05 -0.87 0.00 0.00 -0.57 0.00 0.00 43.02 41.63 3jyh s PHE 35 CO 0.15 -0.01 -0.22 0.12 -0.10 0.00 0.00 175.22 175.16 3jyh s PHE 36 N -0.44 2.48 -0.50 0.36 5.36 0.60 -4.92 117.98 120.92 3jyh s PHE 36 Ca 0.05 -1.08 -0.28 0.00 -0.96 0.00 0.00 56.93 54.66 3jyh s PHE 36 Cb -0.06 -1.68 0.02 0.00 -0.34 0.00 0.00 43.02 40.96 3jyh s PHE 36 CO -0.00 -0.46 1.36 -0.65 -1.46 0.00 0.00 175.22 174.00 3jyh s GLN 37 N 0.51 3.47 0.00 10.12 -1.52 -1.26 0.41 119.66 131.39 3jyh s GLN 37 Ca -0.15 0.60 0.04 0.00 -1.95 0.00 0.00 55.36 53.90 3jyh s GLN 37 Cb -0.17 -4.05 -0.03 0.00 -0.22 0.00 0.00 33.01 28.53 3jyh s GLN 37 CO 0.05 -1.72 -0.10 -1.14 -0.25 0.00 0.00 175.29 172.13 3jyh s GLN 38 N 5.13 2.43 0.27 2.91 2.00 0.15 -4.84 119.66 127.71 3jyh s GLN 38 Ca 0.54 -0.78 -0.31 0.00 -2.00 0.00 0.00 55.36 52.81 3jyh s GLN 38 Cb -0.11 -2.41 -0.12 0.00 0.80 0.00 0.00 33.01 31.17 3jyh s GLN 38 CO 0.29 0.59 1.56 -2.13 -0.50 0.00 0.00 175.29 175.10 3jyh n ARG 39 N 1.66 2.53 0.14 1.67 3.00 -1.26 -0.58 116.66 123.82 3jyh n ARG 39 Ca -0.16 0.90 -0.14 0.00 -0.00 0.00 0.00 57.85 58.46 3jyh n ARG 39 Cb 0.52 -2.66 -0.08 0.00 0.00 0.00 0.00 32.46 30.25 3jyh n ARG 39 CO 0.00 0.00 0.00 -0.07 0.00 0.00 0.00 177.63 177.56 3jyh h LEU 40 N 4.83 -0.23 -7.30 6.15 3.38 -1.55 -3.43 115.31 117.17 3jyh h LEU 40 Ca -0.46 -0.00 -0.56 0.00 0.09 0.00 0.00 57.88 56.94 3jyh h LEU 40 Cb 1.24 0.06 -0.40 0.00 0.09 0.00 0.00 40.66 41.65 3jyh h LEU 40 CO 0.80 -0.15 -0.76 -0.62 0.09 0.00 0.00 178.44 177.80 3jyh s ASP 41 N -4.97 3.59 0.56 -0.43 -1.08 -1.26 -4.98 116.67 108.10 3jyh s ASP 41 Ca -0.14 -1.25 0.34 0.00 -0.52 0.00 0.00 52.55 50.98 3jyh s ASP 41 Cb 0.05 -0.83 1.48 0.00 -1.46 0.00 0.00 42.92 42.16 3jyh s ASP 41 CO 0.65 -0.34 2.03 0.45 0.52 0.00 0.00 175.17 178.48 3jyh h HIS 42 N 8.12 0.00 -0.02 -5.34 3.86 -1.93 -3.35 115.15 116.49 3jyh h HIS 42 Ca -0.15 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.06 3jyh h HIS 42 Cb 1.06 0.00 0.00 0.00 1.06 0.00 0.00 27.41 29.53 3jyh h HIS 42 CO 0.36 0.02 0.00 1.19 0.86 0.00 0.00 177.93 180.36 3jyh n PHE 43 N -3.13 0.01 -3.73 2.45 3.72 -1.26 -4.93 117.46 110.58 3jyh n PHE 43 Ca 0.00 -0.01 -0.14 0.00 -0.05 0.00 0.00 57.45 57.25 3jyh n PHE 43 Cb 0.28 -0.00 -0.14 0.00 -0.94 0.00 0.00 39.48 38.68 3jyh n PHE 43 CO 0.00 0.00 0.00 1.21 -0.05 0.00 0.00 176.76 177.92 3jyh s ASN 44 N -0.82 0.01 0.00 4.37 3.84 -1.26 -5.05 114.94 116.03 3jyh s ASN 44 Ca 0.12 0.33 0.25 0.00 0.21 0.00 0.00 52.86 53.77 3jyh s ASN 44 Cb 0.08 0.23 0.50 0.00 -0.55 0.00 0.00 41.25 41.51 3jyh s ASN 44 CO 0.12 -0.17 1.40 0.49 -2.79 0.00 0.00 177.10 176.16 3jyh n PHE 45 N 4.40 0.00 -0.04 0.43 3.72 -1.26 -4.54 117.46 120.17 3jyh n PHE 45 Ca -0.23 0.00 -0.07 0.00 -0.05 0.00 0.00 57.45 57.11 3jyh n PHE 45 Cb 0.51 -0.14 -0.03 0.00 -0.94 0.00 0.00 39.48 38.88 3jyh n PHE 45 CO 0.00 0.00 0.00 0.39 -0.05 0.00 0.00 176.76 177.10 3jyh n GLU 46 N -0.96 0.16 -0.25 -1.08 1.02 -1.26 -4.13 120.64 114.14 3jyh n GLU 46 Ca 0.09 0.06 0.04 0.00 -0.02 0.00 0.00 57.16 57.33 3jyh n GLU 46 Cb 0.35 -0.91 0.14 0.00 -0.02 0.00 0.00 31.44 31.01 3jyh n GLU 46 CO 0.00 0.00 0.00 -0.09 1.18 0.00 0.00 177.13 178.22 3jyh h ARG 47 N -0.16 0.08 -0.28 3.49 1.12 -1.99 -2.07 114.38 114.57 3jyh h ARG 47 Ca -0.17 -0.00 -0.22 0.00 -1.11 0.00 0.00 59.98 58.47 3jyh h ARG 47 Cb 1.19 -0.02 -0.23 0.00 -0.01 0.00 0.00 29.97 30.90 3jyh h ARG 47 CO -0.08 0.05 -0.74 1.19 -3.11 0.00 0.00 179.97 177.28 3jyh n PHE 48 N -5.37 0.99 -0.29 2.20 3.72 -1.26 -5.10 117.46 112.35 3jyh n PHE 48 Ca 0.13 -1.65 0.00 0.00 -0.05 0.00 0.00 57.45 55.88 3jyh n PHE 48 Cb 0.45 -0.26 0.00 0.00 -0.94 0.00 0.00 39.48 38.73 3jyh n PHE 48 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jyh n GLY 49 N -0.71 2.45 1.53 1.37 0.00 -0.78 -1.26 105.19 107.79 3jyh n GLY 49 Ca 0.24 -0.09 -0.11 0.00 0.00 0.00 0.00 46.02 46.06 3jyh n GLY 49 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3jyh n ASN 50 N 0.95 2.90 -4.76 1.61 6.94 -1.26 -4.62 115.26 117.01 3jyh n ASN 50 Ca 0.00 -3.73 -0.36 0.00 -0.02 0.00 0.00 54.58 50.47 3jyh n ASN 50 Cb 0.00 -0.71 0.02 0.00 -2.36 0.00 0.00 39.78 36.73 3jyh n ASN 50 CO 0.00 0.00 0.00 -0.54 -1.03 0.00 0.00 177.26 175.69 3jyh s LYS 51 N -3.27 3.18 0.35 -3.83 1.02 -0.39 -4.90 119.74 111.91 3jyh s LYS 51 Ca 0.49 1.78 0.06 0.00 0.02 0.00 0.00 55.97 58.31 3jyh s LYS 51 Cb 0.43 -2.02 -0.07 0.00 -0.52 0.00 0.00 37.83 35.65 3jyh s LYS 51 CO 0.03 -1.03 0.02 0.95 -0.92 0.00 0.00 175.35 174.41 3jyh s THR 52 N -1.62 1.61 0.05 2.17 -4.23 -1.26 -1.40 115.64 110.95 3jyh s THR 52 Ca 0.74 -2.02 -0.01 0.00 -1.18 0.00 0.00 61.69 59.22 3jyh s THR 52 Cb -0.29 -2.83 -0.04 0.00 1.34 0.00 0.00 72.50 70.68 3jyh s THR 52 CO 0.32 -0.04 -0.03 0.72 -0.54 0.00 0.00 174.62 175.05 3jyh s PHE 53 N -3.00 0.50 -0.28 3.99 -0.12 0.25 -4.80 117.98 114.52 3jyh s PHE 53 Ca 0.35 -1.02 -0.25 0.00 -0.05 0.00 0.00 56.93 55.95 3jyh s PHE 53 Cb 0.08 -0.38 0.00 0.00 -0.63 0.00 0.00 43.02 42.10 3jyh s PHE 53 CO 0.16 -0.36 0.88 -1.25 -0.05 0.00 0.00 175.22 174.60 3jyh s PRO 54 N -3.71 4.07 -0.23 1.99 0.05 -1.26 0.30 135.00 136.21 3jyh s PRO 54 Ca 0.05 0.85 -0.16 0.00 0.05 0.00 0.00 61.00 61.80 3jyh s PRO 54 Cb 0.06 -3.70 -0.04 0.00 0.05 0.00 0.00 34.50 30.88 3jyh s PRO 54 CO -0.09 -0.68 0.40 -1.14 0.05 0.00 0.00 177.00 175.54 3jyh s GLN 55 N 3.09 4.11 0.23 4.56 0.74 0.17 -4.14 119.66 128.41 3jyh s GLN 55 Ca 0.37 0.16 -0.30 0.00 0.05 0.00 0.00 55.36 55.64 3jyh s GLN 55 Cb -0.14 -3.59 -0.09 0.00 1.10 0.00 0.00 33.01 30.29 3jyh s GLN 55 CO 0.11 -0.15 1.34 0.50 -0.55 0.00 0.00 175.29 176.54 3jyh s ARG 56 N 1.67 4.36 0.04 1.67 3.52 -1.26 -0.29 118.95 128.66 3jyh s ARG 56 Ca 0.18 2.14 0.01 0.00 -0.13 0.00 0.00 55.73 57.93 3jyh s ARG 56 Cb -0.15 -3.16 -0.03 0.00 -1.56 0.00 0.00 34.95 30.05 3jyh s ARG 56 CO 0.09 -0.28 -0.06 -0.59 -0.81 0.00 0.00 175.30 173.64 3jyh s PHE 57 N -0.07 0.57 -0.11 5.12 -0.12 0.00 -1.35 117.98 122.02 3jyh s PHE 57 Ca 0.56 -0.61 -0.01 0.00 -0.05 0.00 0.00 56.93 56.82 3jyh s PHE 57 Cb -0.38 -0.35 -0.03 0.00 -0.63 0.00 0.00 43.02 41.63 3jyh s PHE 57 CO 0.41 -0.15 -0.06 -0.51 -0.05 0.00 0.00 175.22 174.86 3jyh s LEU 58 N -1.86 3.17 0.00 -1.99 1.43 -0.23 -0.28 118.68 118.93 3jyh s LEU 58 Ca -0.07 -0.09 0.03 0.00 -1.03 0.00 0.00 54.13 52.97 3jyh s LEU 58 Cb -0.06 -1.72 -0.01 0.00 0.03 0.00 0.00 46.19 44.42 3jyh s LEU 58 CO -0.02 0.27 -0.10 0.54 0.23 0.00 0.00 176.35 177.27 3jyh s VAL 59 N -0.25 0.82 -0.05 -1.59 0.11 -0.47 -0.70 120.40 118.26 3jyh s VAL 59 Ca 0.04 -0.57 -0.01 0.00 -2.93 0.00 0.00 61.98 58.50 3jyh s VAL 59 Cb -0.13 -0.71 0.03 0.00 -1.53 0.00 0.00 36.38 34.04 3jyh s VAL 59 CO 0.02 0.14 0.02 -0.55 -3.33 0.00 0.00 175.10 171.41 3jyh s SER 60 N -0.49 1.22 0.00 3.54 0.15 -0.08 -0.32 113.70 117.72 3jyh s SER 60 Ca 0.02 -0.01 0.22 0.00 0.70 0.00 0.00 55.95 56.88 3jyh s SER 60 Cb -0.05 -0.29 0.26 0.00 -1.71 0.00 0.00 66.02 64.23 3jyh s SER 60 CO -0.00 -0.20 1.25 -0.90 1.20 0.00 0.00 173.24 174.60 3jyh n ASP 61 N 5.03 3.03 -0.59 5.45 5.68 -1.26 -1.74 116.55 132.14 3jyh n ASP 61 Ca -0.09 -1.93 0.48 0.00 -0.50 0.00 0.00 54.79 52.75 3jyh n ASP 61 Cb 0.50 -0.10 0.80 0.00 -1.14 0.00 0.00 41.12 41.18 3jyh n ASP 61 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 3jyh h ARG 62 N 4.21 0.01 -0.00 0.11 2.43 -1.90 0.19 114.38 119.42 3jyh h ARG 62 Ca 0.00 -0.00 0.00 0.00 -0.81 0.00 0.00 59.98 59.17 3jyh h ARG 62 Cb 0.92 -0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.47 3jyh h ARG 62 CO 0.00 0.00 -0.14 1.19 -1.51 0.00 0.00 179.97 179.52 3jyh n PHE 63 N -4.05 0.00 -2.53 2.20 3.72 -1.26 -5.04 117.46 110.51 3jyh n PHE 63 Ca 0.39 0.00 -0.43 0.00 -0.05 0.00 0.00 57.45 57.37 3jyh n PHE 63 Cb 1.78 0.00 -0.02 0.00 -0.94 0.00 0.00 39.48 40.29 3jyh n PHE 63 CO 0.00 0.00 0.00 -0.46 -0.05 0.00 0.00 176.76 176.25 3jyh s TRP 64 N -1.04 3.21 -0.55 1.38 -0.00 0.67 -3.33 118.94 119.28 3jyh s TRP 64 Ca 0.05 1.29 -0.24 0.00 -0.00 0.00 0.00 56.10 57.20 3jyh s TRP 64 Cb 0.05 -3.37 0.04 0.00 -0.00 0.00 0.00 33.47 30.19 3jyh s TRP 64 CO 0.16 -1.05 0.94 0.08 -0.00 0.00 0.00 176.95 177.09 3jyh s VAL 65 N 2.53 4.39 -1.11 5.86 1.01 -0.98 -4.94 120.40 127.16 3jyh s VAL 65 Ca 0.53 0.27 0.00 0.00 0.00 0.00 0.00 61.98 62.78 3jyh s VAL 65 Cb -0.21 -4.54 0.00 0.00 0.00 0.00 0.00 36.38 31.63 3jyh s VAL 65 CO 0.18 -1.11 0.62 0.54 0.00 0.00 0.00 175.10 175.32 3jyh n ARG 66 N 7.45 0.00 0.00 2.72 1.74 -1.26 -0.80 116.66 126.51 3jyh n ARG 66 Ca 0.02 0.18 0.00 0.00 -0.77 0.00 0.00 57.85 57.28 3jyh n ARG 66 Cb 0.47 -1.57 0.00 0.00 -1.02 0.00 0.00 32.46 30.35 3jyh n ARG 66 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 3jyh n GLY 67 N -1.12 -0.16 0.95 -0.13 0.00 -1.26 -4.76 105.19 98.72 3jyh n GLY 67 Ca 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.01 3jyh n GLY 67 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 3jyh n GLU 68 N -0.01 0.05 -1.59 1.61 0.00 -0.55 -5.03 120.64 115.13 3jyh n GLU 68 Ca 0.00 0.02 -0.50 0.00 0.00 0.00 0.00 57.16 56.68 3jyh n GLU 68 Cb 0.31 -0.59 -0.05 0.00 0.00 0.00 0.00 31.44 31.12 3jyh n GLU 68 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3jyh n GLY 69 N 3.23 0.22 3.62 -1.84 0.00 0.02 -4.89 105.19 105.56 3jyh n GLY 69 Ca -0.02 0.59 -0.29 0.00 0.00 0.00 0.00 46.02 46.30 3jyh n GLY 69 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3jyh s PRO 70 N -0.06 -0.61 -0.22 1.61 0.04 -1.26 -4.66 135.00 129.83 3jyh s PRO 70 Ca 0.77 0.18 -0.06 0.00 0.04 0.00 0.00 61.00 61.92 3jyh s PRO 70 Cb -0.88 -1.65 -0.03 0.00 0.04 0.00 0.00 34.50 31.99 3jyh s PRO 70 CO 0.50 -3.35 0.04 0.42 0.04 0.00 0.00 177.00 174.65 3jyh s ILE 71 N -2.97 4.23 -0.49 0.56 1.01 0.23 -1.20 121.20 122.57 3jyh s ILE 71 Ca 0.69 -0.21 -0.16 0.00 0.00 0.00 0.00 60.65 60.97 3jyh s ILE 71 Cb -0.14 -2.95 0.09 0.00 0.01 0.00 0.00 42.46 39.47 3jyh s ILE 71 CO 0.57 0.39 0.45 -0.36 0.00 0.00 0.00 174.94 175.98 3jyh s PHE 72 N 1.23 3.22 -0.40 3.97 0.40 0.94 -0.92 117.98 126.42 3jyh s PHE 72 Ca 0.04 -0.98 -0.11 0.00 -0.60 0.00 0.00 56.93 55.28 3jyh s PHE 72 Cb -0.15 -3.37 0.05 0.00 0.51 0.00 0.00 43.02 40.07 3jyh s PHE 72 CO 0.03 -0.88 0.25 0.12 0.70 0.00 0.00 175.22 175.43 3jyh s PHE 73 N 1.74 3.27 -0.19 0.36 5.36 -0.37 -1.16 117.98 126.99 3jyh s PHE 73 Ca 0.05 -1.15 -0.29 0.00 -0.96 0.00 0.00 56.93 54.58 3jyh s PHE 73 Cb -0.25 -2.70 -0.00 0.00 -0.34 0.00 0.00 43.02 39.73 3jyh s PHE 73 CO 0.06 -0.73 1.11 -0.47 -1.46 0.00 0.00 175.22 173.72 3jyh s TYR 74 N 1.52 3.21 -0.76 10.12 5.04 0.12 -0.52 117.35 136.07 3jyh s TYR 74 Ca 0.02 1.34 -0.24 0.00 -2.44 0.00 0.00 57.07 55.75 3jyh s TYR 74 Cb -0.21 -3.34 0.06 0.00 0.35 0.00 0.00 41.96 38.82 3jyh s TYR 74 CO 0.05 -0.84 1.16 0.95 -1.34 0.00 0.00 175.55 175.53 3jyh s THR 75 N 3.15 4.08 0.40 4.34 -4.23 0.01 -1.35 115.64 122.03 3jyh s THR 75 Ca 0.48 -0.22 -0.27 0.00 -1.18 0.00 0.00 61.69 60.50 3jyh s THR 75 Cb -0.18 -4.83 -0.10 0.00 1.34 0.00 0.00 72.50 68.73 3jyh s THR 75 CO 0.10 -1.68 1.48 -0.83 -0.54 0.00 0.00 174.62 173.15 3jyh s GLY 76 N 3.86 2.94 0.00 3.99 0.00 0.27 -4.55 107.32 113.83 3jyh s GLY 76 Ca 0.31 1.57 0.00 0.00 0.00 0.00 0.00 44.72 46.59 3jyh s GLY 76 CO 0.08 2.24 0.00 1.16 0.00 0.00 0.00 173.10 176.57 3jyh n ASN 77 N 0.29 0.00 -1.95 1.64 6.94 -1.26 -4.13 115.26 116.79 3jyh n ASN 77 Ca 0.02 0.00 -0.13 0.00 -0.02 0.00 0.00 54.58 54.45 3jyh n ASN 77 Cb 0.40 0.00 -0.05 0.00 -2.36 0.00 0.00 39.78 37.76 3jyh n ASN 77 CO 0.00 0.00 0.00 -1.84 -1.03 0.00 0.00 177.26 174.39 3jyh n GLU 78 N 0.00 1.77 -1.77 -3.83 0.00 -1.26 -4.42 120.64 111.14 3jyh n GLU 78 Ca 0.00 -1.15 -0.00 0.00 0.00 0.00 0.00 57.16 56.00 3jyh n GLU 78 Cb 0.00 -1.68 0.00 0.00 0.00 0.00 0.00 31.44 29.77 3jyh n GLU 78 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3jyh n GLY 79 N 1.39 1.24 3.68 -1.84 0.00 -1.26 -4.85 105.19 103.55 3jyh n GLY 79 Ca 0.30 -0.96 -0.42 0.00 0.00 0.00 0.00 46.02 44.94 3jyh n GLY 79 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jyh s ASP 80 N -1.36 6.57 0.53 1.61 -1.08 -1.26 -4.46 116.67 117.23 3jyh s ASP 80 Ca 0.03 2.51 0.32 0.00 -0.52 0.00 0.00 52.55 54.89 3jyh s ASP 80 Cb -0.00 -2.56 1.47 0.00 -1.46 0.00 0.00 42.92 40.37 3jyh s ASP 80 CO 0.01 -0.93 1.87 1.62 0.52 0.00 0.00 175.17 178.26 3jyh h VAL 81 N 5.00 0.53 -0.06 1.11 3.04 -1.91 -0.31 116.25 123.65 3jyh h VAL 81 Ca -0.43 -0.01 -0.04 0.00 -1.01 0.00 0.00 66.70 65.20 3jyh h VAL 81 Cb 1.20 0.49 -0.01 0.00 -2.01 0.00 0.00 31.29 30.97 3jyh h VAL 81 CO 0.94 0.01 -0.16 -0.50 -1.01 0.00 0.00 177.57 176.85 3jyh h TRP 82 N 0.03 0.10 -0.80 3.17 4.06 -1.97 -1.44 115.95 119.10 3jyh h TRP 82 Ca 0.46 -0.01 -0.03 0.00 2.06 0.00 0.00 58.89 61.37 3jyh h TRP 82 Cb 1.80 -0.03 -0.04 0.00 -1.00 0.00 0.00 29.16 29.90 3jyh h TRP 82 CO -0.00 0.25 0.36 0.00 -3.56 0.00 0.00 178.44 175.50 3jyh h ALA 83 N 1.75 1.14 -0.05 1.49 0.00 -1.42 0.44 119.26 122.61 3jyh h ALA 83 Ca 0.02 -0.17 -0.24 0.00 0.00 0.00 0.00 54.91 54.53 3jyh h ALA 83 Cb 0.34 -0.32 0.01 0.00 0.00 0.00 0.00 17.79 17.82 3jyh h ALA 83 CO 0.02 0.64 -0.91 0.74 0.00 0.00 0.00 179.25 179.75 3jyh h PHE 84 N 1.14 0.89 -0.46 0.00 0.04 -1.55 -2.46 116.94 114.54 3jyh h PHE 84 Ca 0.27 -0.45 -0.01 0.00 2.80 0.00 0.00 57.97 60.58 3jyh h PHE 84 Cb 0.14 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.15 3jyh h PHE 84 CO 0.02 1.27 0.25 0.00 -0.60 0.00 0.00 178.31 179.24 3jyh h ALA 85 N 0.59 0.59 0.00 2.45 0.00 -0.87 -0.66 119.26 121.37 3jyh h ALA 85 Ca -0.08 -0.09 -0.02 0.00 0.00 0.00 0.00 54.91 54.71 3jyh h ALA 85 Cb 1.54 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 19.14 3jyh h ALA 85 CO 0.17 0.13 -0.10 -0.91 0.00 0.00 0.00 179.25 178.54 3jyh h ASN 86 N 0.61 0.00 0.00 0.00 2.35 -0.14 -3.32 115.58 115.08 3jyh h ASN 86 Ca 0.16 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.91 3jyh h ASN 86 Cb 0.07 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.44 3jyh h ASN 86 CO -0.02 0.10 -0.42 0.59 -1.65 0.00 0.00 177.43 176.03 3jyh n ASN 87 N -3.26 0.67 -2.90 5.81 3.02 -0.93 -4.64 115.26 113.03 3jyh n ASN 87 Ca 0.00 -0.58 -0.39 0.00 -0.03 0.00 0.00 54.58 53.58 3jyh n ASN 87 Cb 0.35 1.03 0.04 0.00 -0.61 0.00 0.00 39.78 40.59 3jyh n ASN 87 CO 0.00 0.00 0.00 -1.20 -2.62 0.00 0.00 177.26 173.44 3jyh n SER 88 N -1.22 7.35 -0.29 6.41 7.64 -0.27 -3.97 113.62 129.27 3jyh n SER 88 Ca 0.01 -3.83 0.29 0.00 1.01 0.00 0.00 58.87 56.35 3jyh n SER 88 Cb 0.11 -1.03 0.66 0.00 -1.01 0.00 0.00 64.21 62.94 3jyh n SER 88 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jyh h ALA 89 N 2.99 2.75 0.00 -0.43 0.00 -1.67 -1.81 119.26 121.10 3jyh h ALA 89 Ca 0.55 -0.00 -0.02 0.00 0.00 0.00 0.00 54.91 55.44 3jyh h ALA 89 Cb 0.08 0.06 -0.00 0.00 0.00 0.00 0.00 17.79 17.93 3jyh h ALA 89 CO 1.40 -1.09 -0.08 0.35 0.00 0.00 0.00 179.25 179.83 3jyh h PHE 90 N 0.14 0.00 -0.28 0.00 3.57 -0.90 -2.37 116.94 117.10 3jyh h PHE 90 Ca 0.54 0.00 -0.15 0.00 3.53 0.00 0.00 57.97 61.89 3jyh h PHE 90 Cb 1.87 0.00 -0.01 0.00 2.79 0.00 0.00 35.95 40.61 3jyh h PHE 90 CO -0.00 0.08 -0.44 0.28 -2.23 0.00 0.00 178.31 175.99 3jyh h VAL 91 N 0.00 1.29 -0.51 1.41 2.07 -1.50 -2.08 116.25 116.94 3jyh h VAL 91 Ca -0.00 -1.63 -0.11 0.00 0.82 0.00 0.00 66.70 65.78 3jyh h VAL 91 Cb 0.16 1.55 -0.02 0.00 -1.52 0.00 0.00 31.29 31.47 3jyh h VAL 91 CO 0.01 0.52 -0.12 0.00 0.02 0.00 0.00 177.57 178.00 3jyh h ALA 92 N 0.94 0.82 -0.38 1.67 0.00 -1.59 -1.08 119.26 119.64 3jyh h ALA 92 Ca 0.04 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.52 3jyh h ALA 92 Cb 0.99 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.57 3jyh h ALA 92 CO 0.09 0.66 -0.08 0.93 0.00 0.00 0.00 179.25 180.85 3jyh h GLU 93 N 0.85 0.65 0.00 0.00 5.08 -1.37 -0.86 114.58 118.93 3jyh h GLU 93 Ca 0.13 -0.19 -0.19 0.00 -1.00 0.00 0.00 59.36 58.12 3jyh h GLU 93 Cb 0.67 -0.07 -0.03 0.00 0.50 0.00 0.00 28.75 29.82 3jyh h GLU 93 CO 0.05 0.73 -0.90 1.25 -1.00 0.00 0.00 179.01 179.14 3jyh h LEU 94 N 0.60 0.00 -0.35 1.33 5.85 -1.24 -2.95 115.31 118.55 3jyh h LEU 94 Ca 0.11 0.00 -0.02 0.00 0.84 0.00 0.00 57.88 58.81 3jyh h LEU 94 Cb 0.50 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.51 3jyh h LEU 94 CO 0.03 0.90 0.15 0.00 -0.34 0.00 0.00 178.44 179.18 3jyh h ALA 95 N 1.10 0.46 -0.76 1.25 0.00 -0.76 -1.29 119.26 119.26 3jyh h ALA 95 Ca -0.01 -0.12 0.09 0.00 0.00 0.00 0.00 54.91 54.87 3jyh h ALA 95 Cb 1.67 -0.14 -0.07 0.00 0.00 0.00 0.00 17.79 19.25 3jyh h ALA 95 CO 0.12 0.04 0.41 0.00 0.00 0.00 0.00 179.25 179.82 3jyh h ALA 96 N 1.00 1.07 0.00 0.00 0.00 -1.13 0.18 119.26 120.38 3jyh h ALA 96 Ca 0.12 0.04 -0.11 0.00 0.00 0.00 0.00 54.91 54.96 3jyh h ALA 96 Cb 0.16 -0.10 -0.02 0.00 0.00 0.00 0.00 17.79 17.84 3jyh h ALA 96 CO -0.01 0.03 -0.52 1.05 0.00 0.00 0.00 179.25 179.80 3jyh h GLU 97 N 0.70 0.00 -0.02 0.00 4.11 -1.36 -3.30 114.58 114.71 3jyh h GLU 97 Ca 0.37 0.00 0.00 0.00 0.07 0.00 0.00 59.36 59.80 3jyh h GLU 97 Cb 0.35 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.60 3jyh h GLU 97 CO -0.25 0.52 -0.01 0.54 0.07 0.00 0.00 179.01 179.88 3jyh n ARG 98 N -3.69 1.75 -3.68 1.06 5.12 -0.50 -4.99 116.66 111.74 3jyh n ARG 98 Ca -0.01 -1.66 -0.23 0.00 -1.93 0.00 0.00 57.85 54.02 3jyh n ARG 98 Cb 0.57 -1.38 0.03 0.00 -1.16 0.00 0.00 32.46 30.53 3jyh n ARG 98 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 3jyh n GLY 99 N 1.12 -0.49 3.76 -0.13 0.00 0.53 -4.56 105.19 105.43 3jyh n GLY 99 Ca 0.11 0.23 -0.29 0.00 0.00 0.00 0.00 46.02 46.07 3jyh n GLY 99 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyh s ALA 100 N -3.63 3.49 0.15 4.61 0.00 -0.58 -2.32 121.76 123.49 3jyh s ALA 100 Ca 0.13 -1.12 -0.30 0.00 0.00 0.00 0.00 51.96 50.67 3jyh s ALA 100 Cb -0.04 -1.34 -0.07 0.00 0.00 0.00 0.00 23.12 21.68 3jyh s ALA 100 CO 0.82 0.65 1.06 -1.17 0.00 0.00 0.00 175.76 177.12 3jyh s LEU 101 N -2.63 4.49 -0.26 0.00 2.96 -0.34 -3.28 118.68 119.62 3jyh s LEU 101 Ca 0.29 1.99 -0.08 0.00 -0.22 0.00 0.00 54.13 56.11 3jyh s LEU 101 Cb -0.11 -3.60 -0.02 0.00 0.50 0.00 0.00 46.19 42.96 3jyh s LEU 101 CO 0.22 -0.18 0.09 -0.76 -1.32 0.00 0.00 176.35 174.40 3jyh s LEU 102 N -0.18 3.58 -0.14 -0.68 1.43 -0.71 -0.04 118.68 121.93 3jyh s LEU 102 Ca 0.49 -0.27 0.00 0.00 -1.03 0.00 0.00 54.13 53.32 3jyh s LEU 102 Cb -0.27 -1.94 0.02 0.00 0.03 0.00 0.00 46.19 44.03 3jyh s LEU 102 CO 0.33 -0.07 -0.14 -0.69 0.23 0.00 0.00 176.35 176.01 3jyh s VAL 103 N 1.62 1.52 -0.36 -1.59 1.01 -0.31 -0.90 120.40 121.39 3jyh s VAL 103 Ca 0.06 -0.61 -0.06 0.00 0.00 0.00 0.00 61.98 61.37 3jyh s VAL 103 Cb -0.16 -1.43 0.06 0.00 0.00 0.00 0.00 36.38 34.85 3jyh s VAL 103 CO 0.04 0.45 0.13 -0.36 0.00 0.00 0.00 175.10 175.37 3jyh s PHE 104 N 1.44 3.32 -0.13 5.22 0.08 0.12 0.11 117.98 128.15 3jyh s PHE 104 Ca 0.04 -1.66 -0.16 0.00 0.12 0.00 0.00 56.93 55.26 3jyh s PHE 104 Cb -0.13 -2.52 -0.04 0.00 -0.57 0.00 0.00 43.02 39.75 3jyh s PHE 104 CO -0.09 -0.80 0.39 0.00 -0.10 0.00 0.00 175.22 174.62 3jyh s ALA 105 N 1.34 3.54 0.26 5.36 0.00 -0.46 -1.07 121.76 130.74 3jyh s ALA 105 Ca 0.00 -0.30 -0.20 0.00 0.00 0.00 0.00 51.96 51.45 3jyh s ALA 105 Cb -0.21 -2.52 -0.09 0.00 0.00 0.00 0.00 23.12 20.31 3jyh s ALA 105 CO 0.01 0.08 0.78 -2.00 0.00 0.00 0.00 175.76 174.62 3jyh s GLU 106 N 0.42 4.29 0.10 0.00 2.12 -0.46 -0.56 118.70 124.62 3jyh s GLU 106 Ca 0.22 0.95 -0.30 0.00 0.36 0.00 0.00 54.97 56.20 3jyh s GLU 106 Cb -0.14 -2.80 -0.06 0.00 0.26 0.00 0.00 34.13 31.39 3jyh s GLU 106 CO 0.08 0.34 0.99 -1.58 -0.54 0.00 0.00 175.26 174.54 3jyh s HIS 107 N -1.61 3.75 0.38 5.30 5.65 -1.26 -4.75 115.29 122.76 3jyh s HIS 107 Ca 0.46 1.74 -0.26 0.00 0.25 0.00 0.00 55.06 57.26 3jyh s HIS 107 Cb -0.16 -3.10 -0.12 0.00 -1.18 0.00 0.00 32.58 28.02 3jyh s HIS 107 CO 0.21 0.02 1.01 2.89 -0.65 0.00 0.00 174.74 178.22 3jyh n ARG 108 N 2.93 1.37 -0.83 2.88 1.85 -1.26 -1.78 116.66 121.82 3jyh n ARG 108 Ca 0.03 0.49 0.00 0.00 -1.00 0.00 0.00 57.85 57.37 3jyh n ARG 108 Cb 0.49 -1.98 0.00 0.00 -1.05 0.00 0.00 32.46 29.92 3jyh n ARG 108 CO 0.00 0.00 0.00 0.66 -0.01 0.00 0.00 177.63 178.28 3jyh n TYR 109 N -0.24 0.00 -4.36 2.89 4.01 0.16 -5.01 117.16 114.61 3jyh n TYR 109 Ca 0.09 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.54 3jyh n TYR 109 Cb 0.37 0.00 -0.12 0.00 -0.31 0.00 0.00 39.34 39.28 3jyh n TYR 109 CO 0.00 0.00 0.00 0.71 -0.46 0.00 0.00 176.86 177.11 3jyh s TYR 110 N -3.81 2.53 0.00 -0.72 2.02 -0.74 -4.80 117.35 111.84 3jyh s TYR 110 Ca 0.00 -0.27 0.00 0.00 -0.37 0.00 0.00 57.07 56.43 3jyh s TYR 110 Cb 0.00 -1.36 0.00 0.00 -0.40 0.00 0.00 41.96 40.20 3jyh s TYR 110 CO 0.00 0.36 0.00 0.41 -1.57 0.00 0.00 175.55 174.75 3jyh n GLY 111 N 0.91 1.87 0.50 0.71 0.00 -1.26 -1.95 105.19 105.98 3jyh n GLY 111 Ca -0.16 0.42 0.05 0.00 0.00 0.00 0.00 46.02 46.33 3jyh n GLY 111 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 3jyh n LYS 112 N 2.51 2.88 -3.29 1.61 5.02 -1.26 -4.79 118.16 120.84 3jyh n LYS 112 Ca 0.00 -1.99 -0.40 0.00 -2.02 0.00 0.00 58.31 53.90 3jyh n LYS 112 Cb 0.00 -1.25 -0.02 0.00 -0.02 0.00 0.00 35.03 33.74 3jyh n LYS 112 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 3jyh n SER 113 N 0.19 5.39 -4.14 4.39 7.64 -0.82 -4.63 113.62 121.63 3jyh n SER 113 Ca 0.10 -3.24 -0.34 0.00 1.01 0.00 0.00 58.87 56.39 3jyh n SER 113 Cb 0.42 -1.19 -0.14 0.00 -1.01 0.00 0.00 64.21 62.29 3jyh n SER 113 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 3jyh s LEU 114 N -2.00 3.92 0.46 -3.43 1.43 -1.26 0.37 118.68 118.17 3jyh s LEU 114 Ca 0.31 -1.38 0.15 0.00 -1.03 0.00 0.00 54.13 52.19 3jyh s LEU 114 Cb -0.01 -1.68 1.11 0.00 0.03 0.00 0.00 46.19 45.63 3jyh s LEU 114 CO -0.01 -0.27 2.02 -0.65 0.23 0.00 0.00 176.35 177.67 3jyh h PRO 115 N 7.94 0.29 0.00 1.29 0.11 -1.94 -3.01 132.00 136.68 3jyh h PRO 115 Ca -0.20 -0.02 -0.04 0.00 0.11 0.00 0.00 66.00 65.86 3jyh h PRO 115 Cb 1.05 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 32.01 3jyh h PRO 115 CO 0.53 0.19 -0.62 1.19 -0.21 0.00 0.00 178.00 179.08 3jyh n PHE 116 N -4.47 0.00 -4.70 0.65 3.72 -1.26 -4.87 117.46 106.53 3jyh n PHE 116 Ca 0.07 -1.24 0.00 0.00 -0.05 0.00 0.00 57.45 56.23 3jyh n PHE 116 Cb 0.33 -0.22 0.00 0.00 -0.94 0.00 0.00 39.48 38.65 3jyh n PHE 116 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 3jyh n GLY 117 N -0.74 0.57 0.29 1.37 0.00 -1.14 -3.49 105.19 102.05 3jyh n GLY 117 Ca 0.16 -0.77 0.17 0.00 0.00 0.00 0.00 46.02 45.57 3jyh n GLY 117 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyh h ALA 118 N -0.70 1.06 -0.00 4.61 0.00 -2.00 -1.25 119.26 120.98 3jyh h ALA 118 Ca 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 54.91 54.87 3jyh h ALA 118 Cb 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 17.79 17.78 3jyh h ALA 118 CO 0.00 0.05 -0.03 0.00 0.00 0.00 0.00 179.25 179.28 3jyh n GLN 119 N -3.22 0.60 -0.29 0.00 10.64 -1.23 -4.09 117.38 119.79 3jyh n GLN 119 Ca -0.01 -0.07 0.09 0.00 -1.83 0.00 0.00 57.00 55.18 3jyh n GLN 119 Cb 0.25 -1.50 0.24 0.00 -0.86 0.00 0.00 30.24 28.37 3jyh n GLN 119 CO 0.00 0.00 0.00 0.77 -1.83 0.00 0.00 177.06 176.00 3jyh h SER 120 N 0.16 0.36 -0.47 2.61 0.02 -1.31 -1.93 113.55 112.99 3jyh h SER 120 Ca 0.00 0.12 0.00 0.00 -0.84 0.00 0.00 61.79 61.07 3jyh h SER 120 Cb 0.26 0.09 0.00 0.00 0.14 0.00 0.00 62.40 62.88 3jyh h SER 120 CO 0.00 0.10 0.00 0.35 -1.14 0.00 0.00 176.83 176.14 3jyh n THR 121 N -4.98 1.84 -3.99 -2.27 -2.24 -1.26 -3.69 114.28 97.69 3jyh n THR 121 Ca 0.18 -1.01 -0.28 0.00 -2.27 0.00 0.00 64.05 60.68 3jyh n THR 121 Cb 0.51 -0.18 -0.04 0.00 -2.10 0.00 0.00 70.33 68.51 3jyh n THR 121 CO 0.00 0.00 0.00 -1.10 -0.57 0.00 0.00 175.07 173.40 3jyh s GLN 122 N -2.12 3.23 0.11 -0.78 -1.52 -0.73 -4.77 119.66 113.07 3jyh s GLN 122 Ca 0.41 -0.65 -0.36 0.00 -1.95 0.00 0.00 55.36 52.81 3jyh s GLN 122 Cb 0.29 -2.87 -0.16 0.00 -0.22 0.00 0.00 33.01 30.06 3jyh s GLN 122 CO 0.15 0.54 1.43 -2.13 -0.25 0.00 0.00 175.29 175.03 3jyh n ARG 123 N -0.20 1.51 -0.35 2.91 0.63 -1.26 -1.65 116.66 118.25 3jyh n ARG 123 Ca -0.07 0.54 0.00 0.00 -0.92 0.00 0.00 57.85 57.40 3jyh n ARG 123 Cb 0.53 -2.23 0.00 0.00 0.45 0.00 0.00 32.46 31.21 3jyh n ARG 123 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 3jyh n GLY 124 N 2.87 0.72 0.00 5.14 0.00 -1.26 -4.89 105.19 107.77 3jyh n GLY 124 Ca 0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.20 3jyh n GLY 124 CO 0.00 0.00 0.00 1.42 0.00 0.00 0.00 173.32 174.74 3jyh n HIS 125 N -2.11 0.00 1.46 1.61 8.25 -0.66 -4.81 115.22 118.97 3jyh n HIS 125 Ca 0.00 -0.06 0.11 0.00 -0.26 0.00 0.00 57.72 57.52 3jyh n HIS 125 Cb 0.00 -0.01 0.48 0.00 1.12 0.00 0.00 29.99 31.58 3jyh n HIS 125 CO 0.00 0.00 0.00 0.25 0.64 0.00 0.00 176.34 177.23 3jyh n THR 126 N -0.06 0.11 -0.35 1.59 -2.24 -1.24 -4.45 114.28 107.65 3jyh n THR 126 Ca 0.00 -0.25 0.23 0.00 -2.27 0.00 0.00 64.05 61.77 3jyh n THR 126 Cb 0.15 0.24 0.47 0.00 -2.10 0.00 0.00 70.33 69.09 3jyh n THR 126 CO 0.00 0.00 0.00 -0.08 -0.57 0.00 0.00 175.07 174.42 3jyh h GLU 127 N 1.75 0.38 -0.61 -0.78 4.81 -1.90 -1.71 114.58 116.50 3jyh h GLU 127 Ca 0.00 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 3jyh h GLU 127 Cb 0.38 -0.08 0.00 0.00 0.63 0.00 0.00 28.75 29.67 3jyh h GLU 127 CO 0.00 0.25 0.00 1.28 -0.73 0.00 0.00 179.01 179.81 3jyh n LEU 128 N -4.89 3.71 -4.39 1.64 4.77 -1.26 -4.81 117.00 111.77 3jyh n LEU 128 Ca 0.30 -1.77 -0.45 0.00 -0.03 0.00 0.00 56.01 54.06 3jyh n LEU 128 Cb 0.94 -0.40 -0.04 0.00 -2.33 0.00 0.00 43.42 41.59 3jyh n LEU 128 CO 0.16 0.89 0.57 -0.22 -1.33 0.00 0.00 177.39 177.45 3jyh s LEU 129 N -1.16 5.41 0.10 2.23 2.96 -0.65 -4.81 118.68 122.76 3jyh s LEU 129 Ca 0.45 -1.70 -0.08 0.00 -0.22 0.00 0.00 54.13 52.58 3jyh s LEU 129 Cb 0.24 -2.32 -0.01 0.00 0.50 0.00 0.00 46.19 44.60 3jyh s LEU 129 CO 0.32 -1.06 0.19 0.42 -1.32 0.00 0.00 176.35 174.91 3jyh s THR 130 N 2.48 0.13 0.24 3.68 -4.23 -1.26 -4.82 115.64 111.86 3jyh s THR 130 Ca 0.18 -1.28 -0.04 0.00 -1.18 0.00 0.00 61.69 59.37 3jyh s THR 130 Cb -0.17 -1.48 0.21 0.00 1.34 0.00 0.00 72.50 72.40 3jyh s THR 130 CO 0.01 -0.59 1.82 0.58 -0.54 0.00 0.00 174.62 175.90 3jyh h VAL 131 N 2.73 0.93 -0.26 2.29 2.07 -1.99 -2.01 116.25 120.00 3jyh h VAL 131 Ca -0.34 -0.28 -0.04 0.00 0.82 0.00 0.00 66.70 66.86 3jyh h VAL 131 Cb 1.20 0.04 -0.01 0.00 -1.52 0.00 0.00 31.29 31.00 3jyh h VAL 131 CO 0.55 0.15 0.00 -0.33 0.02 0.00 0.00 177.57 177.96 3jyh h GLU 132 N 0.82 0.46 -0.54 1.57 3.07 -1.98 -1.04 114.58 116.94 3jyh h GLU 132 Ca 0.39 -0.14 0.02 0.00 -0.50 0.00 0.00 59.36 59.14 3jyh h GLU 132 Cb 0.34 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 28.17 3jyh h GLU 132 CO -0.24 0.62 0.33 1.96 -1.40 0.00 0.00 179.01 180.28 3jyh h GLN 133 N 0.24 0.63 -0.60 2.33 1.08 -1.84 -2.11 115.11 114.84 3jyh h GLN 133 Ca 0.07 -0.04 -0.03 0.00 -1.45 0.00 0.00 58.65 57.20 3jyh h GLN 133 Cb 0.41 -0.14 -0.03 0.00 -0.05 0.00 0.00 27.48 27.67 3jyh h GLN 133 CO 0.01 0.42 0.24 0.00 -0.95 0.00 0.00 178.83 178.55 3jyh h ALA 134 N 1.24 0.78 -0.65 3.87 0.00 -1.16 -1.53 119.26 121.80 3jyh h ALA 134 Ca 0.22 -0.17 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 3jyh h ALA 134 Cb 0.02 -0.23 -0.03 0.00 0.00 0.00 0.00 17.79 17.55 3jyh h ALA 134 CO -0.09 0.39 0.16 -0.07 0.00 0.00 0.00 179.25 179.63 3jyh h LEU 135 N 0.83 0.98 -0.87 0.00 3.38 -1.14 -0.79 115.31 117.70 3jyh h LEU 135 Ca 0.20 -0.20 -0.11 0.00 0.09 0.00 0.00 57.88 57.86 3jyh h LEU 135 Cb 0.20 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.68 3jyh h LEU 135 CO -0.02 0.94 -0.31 0.00 0.09 0.00 0.00 178.44 179.14 3jyh h ALA 136 N 1.18 1.04 0.44 1.53 0.00 -1.24 -0.39 119.26 121.81 3jyh h ALA 136 Ca 0.21 -0.38 -0.01 0.00 0.00 0.00 0.00 54.91 54.73 3jyh h ALA 136 Cb 0.35 -0.11 -0.03 0.00 0.00 0.00 0.00 17.79 18.00 3jyh h ALA 136 CO 0.00 0.59 -0.48 -0.44 0.00 0.00 0.00 179.25 178.92 3jyh h ASP 137 N 0.40 -1.33 -0.69 0.00 3.32 -0.65 -1.17 116.42 116.32 3jyh h ASP 137 Ca 0.05 0.11 0.13 0.00 0.02 0.00 0.00 57.03 57.34 3jyh h ASP 137 Cb 0.75 0.45 -0.09 0.00 0.22 0.00 0.00 39.33 40.66 3jyh h ASP 137 CO 0.06 -0.63 0.23 -0.26 -1.72 0.00 0.00 179.24 176.92 3jyh h PHE 138 N -0.94 0.39 -0.23 4.55 0.04 -0.78 -0.37 116.94 119.61 3jyh h PHE 138 Ca -0.05 0.04 -0.00 0.00 2.80 0.00 0.00 57.97 60.75 3jyh h PHE 138 Cb 0.83 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 38.90 3jyh h PHE 138 CO -0.27 0.03 0.12 0.00 -0.60 0.00 0.00 178.31 177.60 3jyh h ALA 139 N 1.51 0.29 -0.22 2.45 0.00 -0.91 -0.89 119.26 121.49 3jyh h ALA 139 Ca 0.37 -0.06 -0.15 0.00 0.00 0.00 0.00 54.91 55.07 3jyh h ALA 139 Cb 0.54 -0.09 -0.01 0.00 0.00 0.00 0.00 17.79 18.23 3jyh h ALA 139 CO -0.39 -0.18 -0.46 0.93 0.00 0.00 0.00 179.25 179.15 3jyh h GLU 140 N 0.26 0.57 -0.37 0.00 5.08 -0.77 -1.82 114.58 117.53 3jyh h GLU 140 Ca 0.08 -0.32 -0.00 0.00 -1.00 0.00 0.00 59.36 58.12 3jyh h GLU 140 Cb 0.07 0.02 -0.02 0.00 0.50 0.00 0.00 28.75 29.32 3jyh h GLU 140 CO -0.01 0.92 0.22 1.25 -1.00 0.00 0.00 179.01 180.39 3jyh h LEU 141 N 0.46 0.45 -0.66 1.33 5.85 -0.97 -0.53 115.31 121.24 3jyh h LEU 141 Ca 0.03 -0.06 0.00 0.00 0.84 0.00 0.00 57.88 58.69 3jyh h LEU 141 Cb 0.99 -0.11 -0.03 0.00 0.37 0.00 0.00 40.66 41.87 3jyh h LEU 141 CO 0.09 0.37 0.41 0.25 -0.34 0.00 0.00 178.44 179.23 3jyh h LEU 142 N 0.48 0.77 -0.16 2.25 5.85 -1.11 0.26 115.31 123.65 3jyh h LEU 142 Ca 0.13 -0.04 0.00 0.00 0.84 0.00 0.00 57.88 58.81 3jyh h LEU 142 Cb 0.01 -0.19 -0.01 0.00 0.37 0.00 0.00 40.66 40.84 3jyh h LEU 142 CO -0.02 0.58 0.10 0.03 -0.34 0.00 0.00 178.44 178.79 3jyh h ARG 143 N 0.89 0.21 -0.62 1.25 3.08 -1.12 -1.50 114.38 116.57 3jyh h ARG 143 Ca 0.24 -0.02 -0.08 0.00 0.07 0.00 0.00 59.98 60.20 3jyh h ARG 143 Cb -0.06 -0.05 -0.03 0.00 0.08 0.00 0.00 29.97 29.92 3jyh h ARG 143 CO -0.05 0.16 0.09 0.00 -1.07 0.00 0.00 179.97 179.10 3jyh h ALA 144 N 1.04 0.98 -0.15 0.04 0.00 -0.80 -2.38 119.26 117.98 3jyh h ALA 144 Ca 0.06 -0.27 0.03 0.00 0.00 0.00 0.00 54.91 54.74 3jyh h ALA 144 Cb -0.01 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.51 3jyh h ALA 144 CO -0.01 0.64 -0.05 -0.07 0.00 0.00 0.00 179.25 179.76 3jyh h LEU 145 N 0.96 -0.17 -1.33 0.00 3.38 -0.40 0.22 115.31 117.97 3jyh h LEU 145 Ca 0.19 0.05 0.00 0.00 0.09 0.00 0.00 57.88 58.22 3jyh h LEU 145 Cb 0.43 0.11 -0.03 0.00 0.09 0.00 0.00 40.66 41.26 3jyh h LEU 145 CO 0.01 -0.07 0.44 0.03 0.09 0.00 0.00 178.44 178.95 3jyh h ARG 146 N -0.02 0.89 0.25 1.13 3.08 -1.03 0.02 114.38 118.70 3jyh h ARG 146 Ca 0.08 -0.06 -0.01 0.00 0.07 0.00 0.00 59.98 60.06 3jyh h ARG 146 Cb 0.14 -0.20 0.00 0.00 0.08 0.00 0.00 29.97 29.99 3jyh h ARG 146 CO -0.17 0.59 -0.12 0.00 -1.07 0.00 0.00 179.97 179.21 3jyh h ARG 147 N 0.91 -0.33 0.00 0.04 3.08 -1.24 -2.04 114.38 114.81 3jyh h ARG 147 Ca 0.25 0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.31 3jyh h ARG 147 Cb -0.09 0.07 -0.00 0.00 0.08 0.00 0.00 29.97 30.03 3jyh h ARG 147 CO -0.05 -0.08 -0.05 -0.44 -1.07 0.00 0.00 179.97 178.27 3jyh h ASP 148 N -1.03 0.00 -0.18 7.04 5.19 -0.54 -1.24 116.42 125.65 3jyh h ASP 148 Ca -0.03 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.38 3jyh h ASP 148 Cb 0.39 0.00 0.00 0.00 0.18 0.00 0.00 39.33 39.90 3jyh h ASP 148 CO 0.06 0.05 0.00 0.18 -3.12 0.00 0.00 179.24 176.41 3jyh n LEU 149 N -3.52 3.18 0.00 1.55 4.77 -0.01 -4.95 117.00 118.01 3jyh n LEU 149 Ca -0.02 -1.22 0.00 0.00 -0.03 0.00 0.00 56.01 54.74 3jyh n LEU 149 Cb 0.16 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.15 3jyh n LEU 149 CO 0.27 0.60 0.00 0.61 -1.33 0.00 0.00 177.39 177.54 3jyh n GLY 150 N 1.39 2.87 2.50 -0.72 0.00 -0.47 -4.90 105.19 105.86 3jyh n GLY 150 Ca 0.16 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 46.04 3jyh n GLY 150 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyh n ALA 151 N -0.01 4.01 0.30 4.61 0.00 -0.78 -4.70 120.51 123.93 3jyh n ALA 151 Ca 0.00 -1.41 0.15 0.00 0.00 0.00 0.00 53.44 52.17 3jyh n ALA 151 Cb 0.00 -2.68 0.91 0.00 0.00 0.00 0.00 19.45 17.67 3jyh n ALA 151 CO 0.00 0.00 0.00 1.96 0.00 0.00 0.00 177.50 179.46 3jyh h GLN 152 N 5.75 0.00 -0.11 0.00 7.50 -1.87 -3.03 115.11 123.35 3jyh h GLN 152 Ca 0.30 0.00 0.00 0.00 0.50 0.00 0.00 58.65 59.45 3jyh h GLN 152 Cb 0.37 0.00 0.00 0.00 0.05 0.00 0.00 27.48 27.90 3jyh h GLN 152 CO 0.99 0.00 0.00 -0.25 -1.50 0.00 0.00 178.83 178.08 3jyh n ASP 153 N -3.86 2.48 -4.68 1.46 8.00 -1.26 -4.99 116.55 113.70 3jyh n ASP 153 Ca -0.03 -2.31 -0.42 0.00 0.71 0.00 0.00 54.79 52.73 3jyh n ASP 153 Cb 0.08 -0.19 -0.03 0.00 -0.02 0.00 0.00 41.12 40.97 3jyh n ASP 153 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3jyh s ALA 154 N -1.55 3.59 0.34 2.24 0.00 -1.15 -4.95 121.76 120.28 3jyh s ALA 154 Ca 0.16 0.64 -0.29 0.00 0.00 0.00 0.00 51.96 52.48 3jyh s ALA 154 Cb 0.12 -3.59 -0.11 0.00 0.00 0.00 0.00 23.12 19.54 3jyh s ALA 154 CO 0.05 -1.00 1.47 -2.14 0.00 0.00 0.00 175.76 174.14 3jyh s PRO 155 N 2.88 4.17 -0.08 0.00 0.02 -1.26 -4.70 135.00 136.03 3jyh s PRO 155 Ca 0.59 2.48 -0.01 0.00 0.02 0.00 0.00 61.00 64.07 3jyh s PRO 155 Cb -0.26 -3.01 -0.03 0.00 0.02 0.00 0.00 34.50 31.22 3jyh s PRO 155 CO 0.21 -0.48 -0.01 0.00 -0.33 0.00 0.00 177.00 176.39 3jyh s ALA 156 N -0.80 3.23 -0.14 -1.55 0.00 -1.26 -0.60 121.76 120.64 3jyh s ALA 156 Ca 0.55 -0.82 0.02 0.00 0.00 0.00 0.00 51.96 51.70 3jyh s ALA 156 Cb -0.45 -1.43 0.01 0.00 0.00 0.00 0.00 23.12 21.25 3jyh s ALA 156 CO 0.56 0.59 -0.21 0.42 0.00 0.00 0.00 175.76 177.12 3jyh s ILE 157 N -0.88 1.97 0.17 0.00 -1.09 -0.09 0.98 121.20 122.27 3jyh s ILE 157 Ca 0.13 -0.92 -0.26 0.00 -2.23 0.00 0.00 60.65 57.37 3jyh s ILE 157 Cb -0.11 -1.75 -0.08 0.00 -1.58 0.00 0.00 42.46 38.93 3jyh s ILE 157 CO 0.02 0.53 0.80 0.00 -1.23 0.00 0.00 174.94 175.06 3jyh s ALA 158 N 0.88 3.44 0.05 9.38 0.00 -0.10 -1.23 121.76 134.18 3jyh s ALA 158 Ca -0.06 0.39 0.07 0.00 0.00 0.00 0.00 51.96 52.36 3jyh s ALA 158 Cb -0.15 -2.99 -0.03 0.00 0.00 0.00 0.00 23.12 19.95 3jyh s ALA 158 CO -0.03 0.28 -0.18 -0.06 0.00 0.00 0.00 175.76 175.77 3jyh s PHE 159 N -1.14 1.61 -0.22 0.00 0.08 0.32 -0.72 117.98 117.91 3jyh s PHE 159 Ca 0.36 -0.38 -0.28 0.00 0.12 0.00 0.00 56.93 56.76 3jyh s PHE 159 Cb -0.23 -0.94 0.13 0.00 -0.57 0.00 0.00 43.02 41.40 3jyh s PHE 159 CO 0.27 0.09 1.03 0.20 -0.10 0.00 0.00 175.22 176.71 3jyh s GLY 160 N -1.29 -0.19 -0.06 4.36 0.00 -0.90 -0.81 107.32 108.42 3jyh s GLY 160 Ca 0.05 2.37 0.02 0.00 0.00 0.00 0.00 44.72 47.17 3jyh s GLY 160 CO 0.02 1.41 -0.12 -0.32 0.00 0.00 0.00 173.10 174.09 3jyh s GLY 161 N -0.50 1.58 0.00 0.20 0.00 -1.26 -0.96 107.32 106.38 3jyh s GLY 161 Ca 0.01 -0.95 0.00 0.00 0.00 0.00 0.00 44.72 43.78 3jyh s GLY 161 CO -0.02 -0.68 0.00 -1.26 0.00 0.00 0.00 173.10 171.13 3jyh n SER 162 N 2.40 0.00 0.06 1.64 2.88 0.25 -0.20 113.62 120.66 3jyh n SER 162 Ca -0.17 0.00 0.18 0.00 -1.33 0.00 0.00 58.87 57.55 3jyh n SER 162 Cb 0.52 0.00 0.71 0.00 -0.75 0.00 0.00 64.21 64.69 3jyh n SER 162 CO 0.00 0.00 0.00 0.22 -1.23 0.00 0.00 175.04 174.03 3jyh h TYR 163 N 0.00 0.00 -0.89 0.66 3.20 -1.90 -0.82 116.97 117.22 3jyh h TYR 163 Ca 0.00 0.00 -0.00 0.00 3.14 0.00 0.00 58.73 61.87 3jyh h TYR 163 Cb 0.00 0.00 -0.04 0.00 1.54 0.00 0.00 36.73 38.23 3jyh h TYR 163 CO 0.00 0.00 0.54 0.78 -1.64 0.00 0.00 178.16 177.84 3jyh h GLY 164 N 0.00 1.28 1.16 1.82 0.00 -0.82 -1.80 103.07 104.71 3jyh h GLY 164 Ca 0.20 -0.53 -0.02 0.00 0.00 0.00 0.00 47.33 46.98 3jyh h GLY 164 CO -0.00 0.51 0.39 -1.33 0.00 0.00 0.00 176.54 176.11 3jyh h GLY 165 N 1.23 1.17 0.90 4.60 0.00 -1.02 -0.25 103.07 109.70 3jyh h GLY 165 Ca 0.32 -0.55 -0.00 0.00 0.00 0.00 0.00 47.33 47.10 3jyh h GLY 165 CO -0.06 0.52 0.05 -0.33 0.00 0.00 0.00 176.54 176.72 3jyh h MET 166 N 1.09 0.14 -0.97 4.80 2.07 -1.14 -1.92 114.93 118.99 3jyh h MET 166 Ca 0.27 -0.02 0.01 0.00 -2.07 0.00 0.00 59.70 57.89 3jyh h MET 166 Cb 0.08 -0.03 -0.05 0.00 -1.87 0.00 0.00 31.60 29.73 3jyh h MET 166 CO -0.04 0.21 0.64 -0.07 1.07 0.00 0.00 176.91 178.73 3jyh h LEU 167 N 0.04 1.11 0.47 1.22 3.38 -1.10 0.11 115.31 120.55 3jyh h LEU 167 Ca 0.03 -0.03 -0.02 0.00 0.09 0.00 0.00 57.88 57.95 3jyh h LEU 167 Cb 0.11 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 40.59 3jyh h LEU 167 CO -0.00 0.80 -0.23 0.28 0.09 0.00 0.00 178.44 179.38 3jyh h SER 168 N 1.31 -0.54 -0.40 -0.43 0.02 -0.86 0.60 113.55 113.25 3jyh h SER 168 Ca 0.36 -0.00 0.08 0.00 -0.84 0.00 0.00 61.79 61.39 3jyh h SER 168 Cb -0.13 0.14 -0.08 0.00 0.14 0.00 0.00 62.40 62.47 3jyh h SER 168 CO -0.08 -0.35 -0.11 0.00 -1.14 0.00 0.00 176.83 175.14 3jyh h ALA 169 N -0.17 0.25 -0.65 3.77 0.00 -1.27 -1.96 119.26 119.24 3jyh h ALA 169 Ca -0.06 0.16 -0.06 0.00 0.00 0.00 0.00 54.91 54.95 3jyh h ALA 169 Cb 0.51 0.33 -0.03 0.00 0.00 0.00 0.00 17.79 18.60 3jyh h ALA 169 CO 0.11 -0.47 0.18 1.88 0.00 0.00 0.00 179.25 180.95 3jyh h TYR 170 N -0.02 1.03 -0.55 0.00 0.05 -0.59 0.73 116.97 117.63 3jyh h TYR 170 Ca 0.20 -0.10 -0.07 0.00 0.05 0.00 0.00 58.73 58.81 3jyh h TYR 170 Cb 0.32 -0.30 -0.02 0.00 1.01 0.00 0.00 36.73 37.73 3jyh h TYR 170 CO -0.37 0.83 0.06 1.25 -1.05 0.00 0.00 178.16 178.89 3jyh h LEU 171 N 0.96 0.90 -0.76 3.88 5.85 -0.70 0.22 115.31 125.66 3jyh h LEU 171 Ca 0.21 -0.27 -0.04 0.00 0.84 0.00 0.00 57.88 58.61 3jyh h LEU 171 Cb 0.30 -0.24 -0.03 0.00 0.37 0.00 0.00 40.66 41.06 3jyh h LEU 171 CO -0.00 0.95 0.30 -0.09 -0.34 0.00 0.00 178.44 179.26 3jyh h ARG 172 N 0.82 1.13 -0.42 1.25 9.65 -0.97 0.10 114.38 125.95 3jyh h ARG 172 Ca 0.16 -0.21 -0.06 0.00 -1.10 0.00 0.00 59.98 58.78 3jyh h ARG 172 Cb 0.45 -0.18 -0.02 0.00 -1.39 0.00 0.00 29.97 28.83 3jyh h ARG 172 CO 0.02 0.92 0.04 0.52 2.80 0.00 0.00 179.97 184.27 3jyh h MET 173 N 1.09 0.71 0.00 0.20 2.86 -0.36 -3.12 114.93 116.32 3jyh h MET 173 Ca 0.25 -0.20 -0.07 0.00 -2.06 0.00 0.00 59.70 57.62 3jyh h MET 173 Cb 0.21 -0.08 -0.01 0.00 0.06 0.00 0.00 31.60 31.78 3jyh h MET 173 CO -0.02 0.76 -1.61 1.63 1.06 0.00 0.00 176.91 178.73 3jyh n LYS 174 N -4.47 0.64 -2.96 1.72 4.76 0.72 -4.53 118.16 114.04 3jyh n LYS 174 Ca -0.00 0.00 -0.18 0.00 -2.87 0.00 0.00 58.31 55.25 3jyh n LYS 174 Cb 0.26 -1.67 -0.02 0.00 -1.84 0.00 0.00 35.03 31.76 3jyh n LYS 174 CO 0.00 0.00 0.00 0.66 -1.37 0.00 0.00 177.40 176.69 3jyh n TYR 175 N -2.56 1.43 1.20 2.13 4.01 0.35 -4.92 117.16 118.80 3jyh n TYR 175 Ca -0.07 -3.55 0.13 0.00 -0.16 0.00 0.00 57.90 54.26 3jyh n TYR 175 Cb 0.67 -0.39 0.66 0.00 -0.31 0.00 0.00 39.34 39.96 3jyh n TYR 175 CO 0.00 0.00 0.00 -0.35 -0.46 0.00 0.00 176.86 176.05 3jyh n PRO 176 N 0.03 0.31 0.14 -0.72 -0.04 -1.18 -1.68 135.00 131.87 3jyh n PRO 176 Ca 0.24 0.04 0.13 0.00 -0.04 0.00 0.00 63.50 63.86 3jyh n PRO 176 Cb 0.65 -1.50 0.35 0.00 -0.04 0.00 0.00 33.50 32.96 3jyh n PRO 176 CO 0.00 0.00 0.00 1.12 -0.04 0.00 0.00 175.50 176.58 3jyh h HIS 177 N 0.00 0.00 0.00 0.54 2.07 -1.91 -3.35 115.15 112.50 3jyh h HIS 177 Ca 0.00 0.00 -0.27 0.00 -2.85 0.00 0.00 60.37 57.25 3jyh h HIS 177 Cb 0.29 0.00 -0.05 0.00 2.57 0.00 0.00 27.41 30.22 3jyh h HIS 177 CO 0.00 0.00 -2.13 1.28 -3.07 0.00 0.00 177.93 174.01 3jyh n LEU 178 N -2.52 0.00 -4.10 6.12 4.77 -0.68 -4.96 117.00 115.64 3jyh n LEU 178 Ca 0.05 0.00 -0.23 0.00 -0.03 0.00 0.00 56.01 55.80 3jyh n LEU 178 Cb 0.44 0.37 -0.15 0.00 -2.33 0.00 0.00 43.42 41.75 3jyh n LEU 178 CO 0.31 0.37 -0.48 0.68 -1.33 0.00 0.00 177.39 176.94 3jyh s VAL 179 N -2.52 1.15 -0.85 4.08 -7.23 -1.02 -4.32 120.40 109.69 3jyh s VAL 179 Ca -0.08 -0.60 0.24 0.00 -1.81 0.00 0.00 61.98 59.73 3jyh s VAL 179 Cb 0.06 -0.98 -0.01 0.00 0.56 0.00 0.00 36.38 36.02 3jyh s VAL 179 CO 0.71 0.33 1.32 0.00 -0.31 0.00 0.00 175.10 177.15 3jyh n ALA 180 N 2.91 3.40 0.00 1.32 0.00 0.28 -4.47 120.51 123.94 3jyh n ALA 180 Ca -0.16 -0.34 0.00 0.00 0.00 0.00 0.00 53.44 52.94 3jyh n ALA 180 Cb 0.54 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.89 3jyh n ALA 180 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jyh n GLY 181 N 1.44 0.20 3.00 0.00 0.00 -1.23 -4.83 105.19 103.78 3jyh n GLY 181 Ca 0.04 -0.87 -0.13 0.00 0.00 0.00 0.00 46.02 45.07 3jyh n GLY 181 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyh s ALA 182 N -2.00 -0.34 -0.40 4.61 0.00 -0.29 -0.92 121.76 122.42 3jyh s ALA 182 Ca 0.00 0.45 -0.14 0.00 0.00 0.00 0.00 51.96 52.27 3jyh s ALA 182 Cb 0.00 -0.27 0.02 0.00 0.00 0.00 0.00 23.12 22.87 3jyh s ALA 182 CO 0.00 -0.08 0.28 -1.17 0.00 0.00 0.00 175.76 174.79 3jyh s LEU 183 N 0.26 4.99 -0.68 0.00 2.96 0.10 -1.22 118.68 125.10 3jyh s LEU 183 Ca -0.02 -0.88 -0.11 0.00 -0.22 0.00 0.00 54.13 52.90 3jyh s LEU 183 Cb -0.03 -2.13 0.18 0.00 0.50 0.00 0.00 46.19 44.70 3jyh s LEU 183 CO -0.01 -0.42 0.58 0.00 -1.32 0.00 0.00 176.35 175.18 3jyh s ALA 184 N 1.66 3.79 -0.22 5.97 0.00 -0.21 -2.11 121.76 130.64 3jyh s ALA 184 Ca 0.05 -3.05 -0.19 0.00 0.00 0.00 0.00 51.96 48.76 3jyh s ALA 184 Cb -0.19 -3.17 -0.03 0.00 0.00 0.00 0.00 23.12 19.74 3jyh s ALA 184 CO 0.09 -2.13 0.57 0.00 0.00 0.00 0.00 175.76 174.29 3jyh s ALA 185 N 0.54 3.57 -1.31 0.00 0.00 -0.14 -2.36 121.76 122.06 3jyh s ALA 185 Ca 0.13 -0.42 -0.05 0.00 0.00 0.00 0.00 51.96 51.63 3jyh s ALA 185 Cb -0.18 -2.91 -0.00 0.00 0.00 0.00 0.00 23.12 20.02 3jyh s ALA 185 CO -0.04 -0.61 0.58 0.43 0.00 0.00 0.00 175.76 176.12 3jyh n SER 186 N 5.20 -1.75 -4.28 0.00 7.64 0.08 -0.58 113.62 119.93 3jyh n SER 186 Ca -0.03 -0.96 -0.44 0.00 1.01 0.00 0.00 58.87 58.45 3jyh n SER 186 Cb 0.50 -3.42 -0.06 0.00 -1.01 0.00 0.00 64.21 60.22 3jyh n SER 186 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 3jyh s ALA 187 N -3.76 3.57 -0.93 -0.43 0.00 -1.26 -2.89 121.76 116.05 3jyh s ALA 187 Ca 0.12 -2.54 -0.06 0.00 0.00 0.00 0.00 51.96 49.47 3jyh s ALA 187 Cb -0.04 -3.13 -0.08 0.00 0.00 0.00 0.00 23.12 19.87 3jyh s ALA 187 CO 0.86 -1.98 2.36 -0.35 0.00 0.00 0.00 175.76 176.65 3jyh n PRO 188 N 5.13 2.32 0.24 0.00 -0.04 -1.26 -4.38 135.00 137.01 3jyh n PRO 188 Ca -0.12 -1.50 0.08 0.00 -0.04 0.00 0.00 63.50 61.93 3jyh n PRO 188 Cb 0.40 -2.43 0.61 0.00 -0.04 0.00 0.00 33.50 32.04 3jyh n PRO 188 CO 0.00 0.00 0.00 -0.39 -0.04 0.00 0.00 175.50 175.07 3jyh h VAL 189 N 3.18 0.93 0.13 0.52 -1.51 -1.88 -2.65 116.25 114.98 3jyh h VAL 189 Ca 0.52 -0.45 -0.01 0.00 -1.23 0.00 0.00 66.70 65.54 3jyh h VAL 189 Cb 0.31 1.25 0.00 0.00 -2.13 0.00 0.00 31.29 30.72 3jyh h VAL 189 CO 1.35 0.12 -0.06 -0.07 -1.23 0.00 0.00 177.57 177.68 3jyh h LEU 190 N 0.00 -0.15 -0.52 4.19 3.38 -1.41 -3.27 115.31 117.53 3jyh h LEU 190 Ca -0.00 -0.34 0.10 0.00 0.09 0.00 0.00 57.88 57.74 3jyh h LEU 190 Cb 0.24 0.04 -0.10 0.00 0.09 0.00 0.00 40.66 40.93 3jyh h LEU 190 CO 0.02 0.44 -0.12 0.00 0.09 0.00 0.00 178.44 178.87 3jyh h ALA 191 N -0.49 0.36 0.00 1.53 0.00 -1.03 -1.71 119.26 117.91 3jyh h ALA 191 Ca -0.02 0.20 0.00 0.00 0.00 0.00 0.00 54.91 55.09 3jyh h ALA 191 Cb 0.48 0.39 0.00 0.00 0.00 0.00 0.00 17.79 18.66 3jyh h ALA 191 CO 0.03 -0.44 0.00 -0.39 0.00 0.00 0.00 179.25 178.46 3jyh h VAL 192 N 0.01 0.00 -0.01 0.00 -1.51 -1.62 -1.23 116.25 111.90 3jyh h VAL 192 Ca 0.25 -0.28 0.00 0.00 -1.23 0.00 0.00 66.70 65.45 3jyh h VAL 192 Cb 0.38 1.05 0.00 0.00 -2.13 0.00 0.00 31.29 30.60 3jyh h VAL 192 CO -0.53 0.00 -0.32 0.00 -1.23 0.00 0.00 177.57 175.49 3jyh n ALA 193 N -1.84 3.20 -0.08 5.19 0.00 -0.67 -2.34 120.51 123.97 3jyh n ALA 193 Ca 0.02 -0.42 0.00 0.00 0.00 0.00 0.00 53.44 53.04 3jyh n ALA 193 Cb 0.24 -1.10 0.00 0.00 0.00 0.00 0.00 19.45 18.59 3jyh n ALA 193 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3jyh n GLY 194 N 1.37 0.96 3.95 0.00 0.00 -0.46 -4.41 105.19 106.60 3jyh n GLY 194 Ca 0.11 -0.05 -0.21 0.00 0.00 0.00 0.00 46.02 45.87 3jyh n GLY 194 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3jyh s LEU 195 N 0.00 4.26 0.02 0.99 1.43 -1.04 -5.00 118.68 119.34 3jyh s LEU 195 Ca 0.00 0.04 0.00 0.00 -1.03 0.00 0.00 54.13 53.14 3jyh s LEU 195 Cb 0.00 -2.80 0.00 0.00 0.03 0.00 0.00 46.19 43.42 3jyh s LEU 195 CO 0.00 -0.07 0.00 0.61 0.23 0.00 0.00 176.35 177.12 3jyh n GLY 196 N -1.38 -1.40 3.70 -3.19 0.00 -1.26 -4.01 105.19 97.65 3jyh n GLY 196 Ca -0.09 -1.51 -0.38 0.00 0.00 0.00 0.00 46.02 44.04 3jyh n GLY 196 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3jyh s ASP 197 N -2.69 6.52 0.00 1.61 1.01 -1.26 -4.96 116.67 116.89 3jyh s ASP 197 Ca 0.00 0.61 0.00 0.00 0.71 0.00 0.00 52.55 53.87 3jyh s ASP 197 Cb 0.00 -2.24 0.00 0.00 1.01 0.00 0.00 42.92 41.69 3jyh s ASP 197 CO 0.00 -0.01 0.45 -1.54 0.21 0.00 0.00 175.17 174.29 3jyh n SER 198 N 3.98 0.37 -0.00 0.27 3.41 -1.26 -1.49 113.62 118.90 3jyh n SER 198 Ca -0.09 -1.28 0.04 0.00 -0.26 0.00 0.00 58.87 57.28 3jyh n SER 198 Cb 0.51 -0.19 -0.05 0.00 -0.26 0.00 0.00 64.21 64.23 3jyh n SER 198 CO 0.00 0.00 0.00 0.59 -0.16 0.00 0.00 175.04 175.47 3jyh n ASN 199 N -0.11 1.18 0.12 4.04 5.03 -1.26 -1.33 115.26 122.93 3jyh n ASN 199 Ca 0.00 -0.48 -0.14 0.00 0.87 0.00 0.00 54.58 54.83 3jyh n ASN 199 Cb 0.09 1.10 -0.06 0.00 -1.02 0.00 0.00 39.78 39.89 3jyh n ASN 199 CO 0.00 0.00 0.00 1.56 -1.83 0.00 0.00 177.26 176.99 3jyh h GLN 200 N 0.00 -0.57 0.25 3.52 4.20 -1.60 -1.61 115.11 119.30 3jyh h GLN 200 Ca 0.00 0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.75 3jyh h GLN 200 Cb 0.23 0.13 -0.04 0.00 0.30 0.00 0.00 27.48 28.11 3jyh h GLN 200 CO 0.00 -0.38 -0.51 0.35 -0.67 0.00 0.00 178.83 177.62 3jyh h PHE 201 N -0.60 -1.44 0.00 2.96 3.57 -1.82 0.24 116.94 119.85 3jyh h PHE 201 Ca 0.02 0.03 -0.09 0.00 3.53 0.00 0.00 57.97 61.46 3jyh h PHE 201 Cb 0.62 0.60 -0.01 0.00 2.79 0.00 0.00 35.95 39.94 3jyh h PHE 201 CO -0.31 -0.61 -0.42 0.74 -2.23 0.00 0.00 178.31 175.48 3jyh h PHE 202 N -0.82 0.00 -0.69 0.41 0.04 -1.82 -0.47 116.94 113.60 3jyh h PHE 202 Ca -0.03 0.00 0.07 0.00 2.80 0.00 0.00 57.97 60.82 3jyh h PHE 202 Cb 0.78 0.00 -0.06 0.00 2.20 0.00 0.00 35.95 38.86 3jyh h PHE 202 CO -0.38 0.42 0.37 -0.09 -0.60 0.00 0.00 178.31 178.03 3jyh h ARG 203 N 0.00 0.64 -0.33 1.51 2.43 -0.69 -1.16 114.38 116.78 3jyh h ARG 203 Ca -0.00 -0.04 -0.15 0.00 -0.81 0.00 0.00 59.98 58.97 3jyh h ARG 203 Cb 0.82 -0.14 -0.00 0.00 -0.42 0.00 0.00 29.97 30.22 3jyh h ARG 203 CO 0.06 0.42 -0.39 -0.44 -1.51 0.00 0.00 179.97 178.11 3jyh h ASP 204 N 0.66 0.92 -0.35 -3.80 3.32 0.99 -0.83 116.42 117.33 3jyh h ASP 204 Ca 0.32 -0.49 0.07 0.00 0.02 0.00 0.00 57.03 56.96 3jyh h ASP 204 Cb 0.26 -0.26 -0.07 0.00 0.22 0.00 0.00 39.33 39.48 3jyh h ASP 204 CO -0.22 1.22 -0.10 0.58 -1.72 0.00 0.00 179.24 179.00 3jyh h VAL 205 N 0.64 0.63 -0.18 -1.35 2.07 -1.04 -0.89 116.25 116.13 3jyh h VAL 205 Ca 0.04 0.00 0.02 0.00 0.82 0.00 0.00 66.70 67.59 3jyh h VAL 205 Cb 0.98 0.63 -0.02 0.00 -1.52 0.00 0.00 31.29 31.36 3jyh h VAL 205 CO 0.09 0.00 0.03 0.74 0.02 0.00 0.00 177.57 178.45 3jyh h THR 206 N -0.02 0.91 -0.94 2.57 2.02 -1.02 -2.68 112.91 113.75 3jyh h THR 206 Ca 0.17 -0.03 0.10 0.00 0.77 0.00 0.00 66.41 67.42 3jyh h THR 206 Cb 0.27 0.81 -0.07 0.00 -1.74 0.00 0.00 68.15 67.42 3jyh h THR 206 CO -0.37 0.02 0.60 0.00 0.37 0.00 0.00 175.52 176.15 3jyh h ALA 207 N 1.13 1.58 -0.34 6.16 0.00 -0.79 0.18 119.26 127.18 3jyh h ALA 207 Ca 0.08 0.00 0.04 0.00 0.00 0.00 0.00 54.91 55.03 3jyh h ALA 207 Cb 0.08 -0.22 -0.04 0.00 0.00 0.00 0.00 17.79 17.61 3jyh h ALA 207 CO -0.11 0.22 0.12 -0.44 0.00 0.00 0.00 179.25 179.05 3jyh h ASP 208 N 0.95 0.14 0.00 0.00 3.32 -0.85 0.19 116.42 120.18 3jyh h ASP 208 Ca 0.44 0.04 -0.14 0.00 0.02 0.00 0.00 57.03 57.39 3jyh h ASP 208 Cb 0.41 0.02 -0.01 0.00 0.22 0.00 0.00 39.33 39.97 3jyh h ASP 208 CO -0.20 0.12 -0.45 -0.26 -1.72 0.00 0.00 179.24 176.72 3jyh h PHE 209 N 0.27 0.64 -0.21 4.55 0.04 -1.01 -2.58 116.94 118.65 3jyh h PHE 209 Ca 0.15 -0.20 -0.01 0.00 2.80 0.00 0.00 57.97 60.71 3jyh h PHE 209 Cb 0.12 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.13 3jyh h PHE 209 CO -0.14 0.89 0.09 1.49 -0.60 0.00 0.00 178.31 180.04 3jyh h GLU 210 N 0.43 0.31 -1.01 1.51 4.57 -0.55 0.42 114.58 120.27 3jyh h GLU 210 Ca 0.03 -0.05 0.16 0.00 -1.18 0.00 0.00 59.36 58.32 3jyh h GLU 210 Cb 0.96 -0.05 -0.10 0.00 -0.16 0.00 0.00 28.75 29.40 3jyh h GLU 210 CO 0.09 0.36 0.62 0.78 -1.18 0.00 0.00 179.01 179.67 3jyh h GLY 211 N 0.19 1.73 0.35 1.92 0.00 -0.57 -2.81 103.07 103.89 3jyh h GLY 211 Ca 0.07 -0.39 -0.05 0.00 0.00 0.00 0.00 47.33 46.96 3jyh h GLY 211 CO -0.01 0.03 -0.20 -1.61 0.00 0.00 0.00 176.54 174.75 3jyh h GLN 212 N 0.87 0.12 -1.81 4.80 5.75 -1.14 -3.47 115.11 120.23 3jyh h GLN 212 Ca 0.55 -0.14 0.04 0.00 -0.15 0.00 0.00 58.65 58.94 3jyh h GLN 212 Cb 0.72 0.04 -0.22 0.00 1.07 0.00 0.00 27.48 29.10 3jyh h GLN 212 CO -0.33 0.93 -0.23 0.45 -2.65 0.00 0.00 178.83 177.00 3jyh s SER 213 N -6.29 -0.99 0.25 -0.69 0.15 0.15 -5.03 113.70 101.26 3jyh s SER 213 Ca -0.17 1.22 -0.00 0.00 0.70 0.00 0.00 55.95 57.70 3jyh s SER 213 Cb -0.00 2.05 0.30 0.00 -1.71 0.00 0.00 66.02 66.66 3jyh s SER 213 CO 0.73 -0.24 1.67 -0.65 1.20 0.00 0.00 173.24 175.95 3jyh h PRO 214 N 8.04 0.59 0.00 5.44 0.11 -1.75 -2.54 132.00 141.89 3jyh h PRO 214 Ca -0.19 -0.24 -0.06 0.00 0.11 0.00 0.00 66.00 65.62 3jyh h PRO 214 Cb 1.12 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 3jyh h PRO 214 CO 0.16 0.80 -0.29 0.87 -0.21 0.00 0.00 178.00 179.32 3jyh h LYS 215 N 0.52 0.00 -0.30 1.05 6.56 -1.94 -2.65 116.57 119.81 3jyh h LYS 215 Ca 0.07 0.00 -0.10 0.00 -1.06 0.00 0.00 60.65 59.56 3jyh h LYS 215 Cb 0.73 0.00 -0.01 0.00 -0.57 0.00 0.00 32.23 32.38 3jyh h LYS 215 CO 0.06 0.29 -0.20 0.00 -2.06 0.00 0.00 179.45 177.54 3jyh h THR 217 N 0.42 1.27 -0.29 0.00 1.35 -1.29 -1.93 112.91 112.45 3jyh h THR 217 Ca 0.06 -1.32 -0.01 0.00 -0.55 0.00 0.00 66.41 64.59 3jyh h THR 217 Cb 0.75 1.58 -0.01 0.00 -1.73 0.00 0.00 68.15 68.73 3jyh h THR 217 CO 0.06 0.39 0.13 1.56 -0.25 0.00 0.00 175.52 177.40 3jyh h GLN 218 N 0.17 0.43 -0.82 4.72 4.20 -1.49 -1.31 115.11 121.02 3jyh h GLN 218 Ca 0.02 -0.07 0.00 0.00 0.06 0.00 0.00 58.65 58.66 3jyh h GLN 218 Cb 0.69 -0.07 -0.04 0.00 0.30 0.00 0.00 27.48 28.36 3jyh h GLN 218 CO 0.05 0.44 0.52 0.78 -0.67 0.00 0.00 178.83 179.95 3jyh h GLY 219 N 0.33 1.17 0.96 3.46 0.00 -1.21 0.07 103.07 107.85 3jyh h GLY 219 Ca 0.10 -0.46 -0.05 0.00 0.00 0.00 0.00 47.33 46.92 3jyh h GLY 219 CO -0.01 0.45 0.09 -2.08 0.00 0.00 0.00 176.54 174.99 3jyh h VAL 220 N 1.12 1.24 -0.19 4.60 2.07 -1.27 -1.55 116.25 122.27 3jyh h VAL 220 Ca 0.30 -0.86 0.01 0.00 0.82 0.00 0.00 66.70 66.96 3jyh h VAL 220 Cb -0.09 0.92 -0.01 0.00 -1.52 0.00 0.00 31.29 30.59 3jyh h VAL 220 CO -0.06 0.30 0.11 0.03 0.02 0.00 0.00 177.57 177.97 3jyh h ARG 221 N 0.62 0.22 -0.43 1.57 3.08 -0.61 -2.51 114.38 116.32 3jyh h ARG 221 Ca 0.14 -0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.18 3jyh h ARG 221 Cb 0.35 -0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.33 3jyh h ARG 221 CO 0.00 0.15 0.28 0.93 -1.07 0.00 0.00 179.97 180.27 3jyh h GLU 222 N 0.23 0.56 -0.71 0.04 5.08 -0.95 -2.22 114.58 116.61 3jyh h GLU 222 Ca 0.07 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.39 3jyh h GLU 222 Cb -0.00 -0.13 -0.03 0.00 0.50 0.00 0.00 28.75 29.09 3jyh h GLU 222 CO -0.04 0.37 0.39 0.00 -1.00 0.00 0.00 179.01 178.73 3jyh h ALA 223 N 1.16 0.91 -0.55 3.43 0.00 -1.24 0.63 119.26 123.60 3jyh h ALA 223 Ca 0.16 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3jyh h ALA 223 Cb -0.06 -0.28 -0.02 0.00 0.00 0.00 0.00 17.79 17.42 3jyh h ALA 223 CO -0.04 0.42 0.04 0.74 0.00 0.00 0.00 179.25 180.42 3jyh h PHE 224 N 0.97 0.97 -0.01 0.00 0.04 -1.33 -2.37 116.94 115.22 3jyh h PHE 224 Ca 0.25 -0.13 -0.00 0.00 2.80 0.00 0.00 57.97 60.89 3jyh h PHE 224 Cb 0.04 -0.27 -0.00 0.00 2.20 0.00 0.00 35.95 37.92 3jyh h PHE 224 CO -0.00 0.85 0.00 -0.09 -0.60 0.00 0.00 178.31 178.47 3jyh h ARG 225 N 0.85 0.01 -0.99 1.51 2.43 -0.85 -2.60 114.38 114.74 3jyh h ARG 225 Ca 0.17 -0.00 0.09 0.00 -0.81 0.00 0.00 59.98 59.43 3jyh h ARG 225 Cb 0.44 -0.00 -0.07 0.00 -0.42 0.00 0.00 29.97 29.92 3jyh h ARG 225 CO 0.02 0.21 0.64 1.96 -1.51 0.00 0.00 179.97 181.28 3jyh h GLN 226 N -0.18 1.04 -0.56 0.20 4.20 -0.81 0.12 115.11 119.11 3jyh h GLN 226 Ca 0.00 -0.06 -0.07 0.00 0.06 0.00 0.00 58.65 58.58 3jyh h GLN 226 Cb 0.20 -0.23 -0.02 0.00 0.30 0.00 0.00 27.48 27.72 3jyh h GLN 226 CO -0.00 0.69 0.06 0.82 -0.67 0.00 0.00 178.83 179.73 3jyh h ILE 227 N 1.07 1.26 0.26 2.54 2.04 -1.36 -1.31 117.51 122.01 3jyh h ILE 227 Ca 0.46 -1.02 -0.01 0.00 1.00 0.00 0.00 64.86 65.29 3jyh h ILE 227 Cb 0.33 0.83 0.00 0.00 -0.74 0.00 0.00 36.82 37.23 3jyh h ILE 227 CO -0.21 0.37 -0.12 0.50 0.00 0.00 0.00 178.15 178.69 3jyh h LYS 228 N 0.84 -0.33 -0.49 2.37 3.64 -0.95 -1.96 116.57 119.67 3jyh h LYS 228 Ca 0.17 0.02 0.09 0.00 -1.27 0.00 0.00 60.65 59.66 3jyh h LYS 228 Cb 0.45 0.08 -0.10 0.00 -0.41 0.00 0.00 32.23 32.25 3jyh h LYS 228 CO 0.02 -0.10 -0.37 -0.44 -2.27 0.00 0.00 179.45 176.30 3jyh h ASP 229 N -0.52 -1.24 -0.12 4.20 3.32 -0.72 -1.03 116.42 120.30 3jyh h ASP 229 Ca -0.04 0.22 -0.04 0.00 0.02 0.00 0.00 57.03 57.19 3jyh h ASP 229 Cb 0.39 0.58 -0.01 0.00 0.22 0.00 0.00 39.33 40.50 3jyh h ASP 229 CO 0.06 -0.33 -0.04 -0.07 -1.72 0.00 0.00 179.24 177.14 3jyh h LEU 230 N -0.23 0.35 -1.23 1.55 3.38 -1.19 0.18 115.31 118.12 3jyh h LEU 230 Ca 0.19 -0.06 -0.07 0.00 0.09 0.00 0.00 57.88 58.02 3jyh h LEU 230 Cb 0.56 -0.09 -0.01 0.00 0.09 0.00 0.00 40.66 41.20 3jyh h LEU 230 CO -0.62 0.45 -0.25 -0.26 0.09 0.00 0.00 178.44 177.85 3jyh h PHE 231 N 0.37 0.23 0.00 1.13 0.04 -0.55 0.15 116.94 118.31 3jyh h PHE 231 Ca 0.08 -0.04 -0.18 0.00 2.80 0.00 0.00 57.97 60.63 3jyh h PHE 231 Cb 0.31 -0.06 -0.03 0.00 2.20 0.00 0.00 35.95 38.37 3jyh h PHE 231 CO 0.01 0.45 -0.85 -0.07 -0.60 0.00 0.00 178.31 177.25 3jyh h LEU 232 N 0.20 0.00 -0.27 1.54 3.38 0.55 -3.04 115.31 117.66 3jyh h LEU 232 Ca 0.03 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.00 3jyh h LEU 232 Cb 0.55 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.30 3jyh h LEU 232 CO 0.04 0.85 0.00 0.00 0.09 0.00 0.00 178.44 179.42 3jyh n GLN 233 N -3.44 1.18 -1.06 1.13 6.02 -0.30 -4.92 117.38 115.99 3jyh n GLN 233 Ca -0.00 -0.27 -0.02 0.00 -0.01 0.00 0.00 57.00 56.71 3jyh n GLN 233 Cb 0.84 -1.35 -0.01 0.00 1.02 0.00 0.00 30.24 30.74 3jyh n GLN 233 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 3jyh n GLY 234 N 0.90 0.38 2.21 1.08 0.00 -1.10 -4.92 105.19 103.74 3jyh n GLY 234 Ca 0.16 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.91 3jyh n GLY 234 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyh n ALA 235 N 1.04 6.01 -0.13 4.61 0.00 0.02 -4.63 120.51 127.43 3jyh n ALA 235 Ca -0.02 -2.16 -0.02 0.00 0.00 0.00 0.00 53.44 51.24 3jyh n ALA 235 Cb 0.32 -2.70 0.21 0.00 0.00 0.00 0.00 19.45 17.27 3jyh n ALA 235 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 177.50 179.38 3jyh h TYR 236 N 4.28 0.83 -0.41 0.00 0.05 -1.85 -3.02 116.97 116.86 3jyh h TYR 236 Ca 0.41 -0.07 -0.08 0.00 0.05 0.00 0.00 58.73 59.04 3jyh h TYR 236 Cb 0.86 -0.25 -0.01 0.00 1.01 0.00 0.00 36.73 38.33 3jyh h TYR 236 CO 1.77 0.68 -0.07 -0.44 -1.05 0.00 0.00 178.16 179.06 3jyh h ASP 237 N 0.79 0.77 -0.93 3.88 3.32 -1.84 -2.09 116.42 120.33 3jyh h ASP 237 Ca 0.18 -0.35 0.08 0.00 0.02 0.00 0.00 57.03 56.96 3jyh h ASP 237 Cb 0.25 -0.21 -0.07 0.00 0.22 0.00 0.00 39.33 39.52 3jyh h ASP 237 CO -0.01 0.93 0.58 0.74 -1.72 0.00 0.00 179.24 179.76 3jyh h THR 238 N 0.58 1.00 0.08 0.35 2.02 -1.92 -0.01 112.91 115.02 3jyh h THR 238 Ca 0.11 -0.34 -0.00 0.00 0.77 0.00 0.00 66.41 66.94 3jyh h THR 238 Cb 0.58 -0.09 0.00 0.00 -1.74 0.00 0.00 68.15 66.91 3jyh h THR 238 CO 0.03 0.18 -0.04 0.58 0.37 0.00 0.00 175.52 176.65 3jyh h VAL 239 N 1.00 1.16 -0.79 3.16 2.07 -1.44 0.31 116.25 121.72 3jyh h VAL 239 Ca 0.42 -1.00 0.19 0.00 0.82 0.00 0.00 66.70 67.13 3jyh h VAL 239 Cb 0.27 1.79 -0.13 0.00 -1.52 0.00 0.00 31.29 31.71 3jyh h VAL 239 CO -0.21 0.24 0.13 -0.09 0.02 0.00 0.00 177.57 177.66 3jyh h ARG 240 N -0.57 0.18 -0.01 1.57 2.43 -1.19 0.11 114.38 116.91 3jyh h ARG 240 Ca -0.01 -0.01 -0.01 0.00 -0.81 0.00 0.00 59.98 59.14 3jyh h ARG 240 Cb 0.48 -0.04 0.00 0.00 -0.42 0.00 0.00 29.97 29.99 3jyh h ARG 240 CO 0.02 0.12 -0.04 2.35 -1.51 0.00 0.00 179.97 180.91 3jyh h TRP 241 N 0.19 0.06 -0.16 2.20 2.91 -0.91 -0.49 115.95 119.75 3jyh h TRP 241 Ca 0.46 -0.03 -0.17 0.00 1.13 0.00 0.00 58.89 60.28 3jyh h TRP 241 Cb 0.84 -0.01 0.01 0.00 -0.51 0.00 0.00 29.16 29.49 3jyh h TRP 241 CO -0.32 0.72 -0.58 0.93 -1.03 0.00 0.00 178.44 178.15 3jyh h GLU 242 N -0.61 0.68 0.00 2.65 4.39 -0.71 -3.26 114.58 117.72 3jyh h GLU 242 Ca -0.00 -0.51 -0.15 0.00 0.34 0.00 0.00 59.36 59.04 3jyh h GLU 242 Cb 0.72 0.09 -0.02 0.00 -0.10 0.00 0.00 28.75 29.44 3jyh h GLU 242 CO 0.01 1.13 -0.70 0.35 -1.16 0.00 0.00 179.01 178.64 3jyh h PHE 243 N 0.36 0.00 -0.33 4.33 3.57 -0.94 -3.38 116.94 120.55 3jyh h PHE 243 Ca -0.03 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.47 3jyh h PHE 243 Cb 1.21 0.00 0.00 0.00 2.79 0.00 0.00 35.95 39.95 3jyh h PHE 243 CO 0.10 0.70 0.00 0.41 -2.23 0.00 0.00 178.31 177.29 3jyh n GLY 244 N 1.13 1.01 3.79 2.40 0.00 -0.61 -4.80 105.19 108.09 3jyh n GLY 244 Ca 0.01 -0.24 -0.36 0.00 0.00 0.00 0.00 46.02 45.42 3jyh n GLY 244 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jyh s THR 245 N -2.33 4.15 0.22 2.61 -4.23 -0.29 0.39 115.64 116.15 3jyh s THR 245 Ca 0.00 1.70 0.07 0.00 -1.18 0.00 0.00 61.69 62.28 3jyh s THR 245 Cb 0.00 -3.90 -0.09 0.00 1.34 0.00 0.00 72.50 69.85 3jyh s THR 245 CO 0.00 0.06 1.49 0.00 -0.54 0.00 0.00 174.62 175.63 3jyh s GLN 247 N -3.37 3.70 0.38 0.00 1.11 -1.26 -5.06 119.66 115.16 3jyh s GLN 247 Ca -0.01 0.13 -0.27 0.00 0.01 0.00 0.00 55.36 55.22 3jyh s GLN 247 Cb 0.12 -2.64 -0.09 0.00 -1.01 0.00 0.00 33.01 29.39 3jyh s GLN 247 CO 0.79 0.24 1.31 -1.25 0.01 0.00 0.00 175.29 176.40 3jyh s PRO 248 N -3.28 4.08 -0.11 2.91 0.04 -1.26 -4.91 135.00 132.47 3jyh s PRO 248 Ca 0.46 2.20 -0.02 0.00 0.04 0.00 0.00 61.00 63.67 3jyh s PRO 248 Cb -0.11 -2.85 -0.03 0.00 0.04 0.00 0.00 34.50 31.55 3jyh s PRO 248 CO 0.27 -0.42 -0.01 -0.51 0.04 0.00 0.00 177.00 176.37 3jyh s LEU 249 N -2.24 3.46 0.00 -3.56 1.43 -1.26 -5.00 118.68 111.50 3jyh s LEU 249 Ca 0.54 0.05 0.00 0.00 -1.03 0.00 0.00 54.13 53.69 3jyh s LEU 249 Cb -0.39 -1.80 0.00 0.00 0.03 0.00 0.00 46.19 44.03 3jyh s LEU 249 CO 0.51 0.31 0.00 -1.54 0.23 0.00 0.00 176.35 175.86 3jyh n SER 250 N 2.60 0.00 -4.66 2.29 3.41 -1.26 -4.70 113.62 111.30 3jyh n SER 250 Ca -0.18 0.00 -0.26 0.00 -0.26 0.00 0.00 58.87 58.17 3jyh n SER 250 Cb 0.53 0.00 -0.09 0.00 -0.26 0.00 0.00 64.21 64.39 3jyh n SER 250 CO 0.00 0.00 0.00 1.51 -0.16 0.00 0.00 175.04 176.39 3jyh s ASP 251 N -2.38 4.09 0.52 4.04 1.47 -1.26 -5.02 116.67 118.14 3jyh s ASP 251 Ca 0.00 -1.23 0.16 0.00 1.18 0.00 0.00 52.55 52.66 3jyh s ASP 251 Cb 0.00 -0.44 1.27 0.00 -0.34 0.00 0.00 42.92 43.41 3jyh s ASP 251 CO 0.00 -0.46 2.14 1.05 0.68 0.00 0.00 175.17 178.59 3jyh h GLU 252 N 1.66 0.00 -0.96 2.11 -0.00 -1.99 -0.15 114.58 115.24 3jyh h GLU 252 Ca -0.43 0.00 0.04 0.00 -0.00 0.00 0.00 59.36 58.96 3jyh h GLU 252 Cb 1.25 0.00 -0.06 0.00 -0.00 0.00 0.00 28.75 29.94 3jyh h GLU 252 CO 0.75 0.01 0.63 -0.22 -0.00 0.00 0.00 179.01 180.18 3jyh h LYS 253 N 0.00 1.17 -0.46 1.06 3.64 -1.99 -0.10 116.57 119.89 3jyh h LYS 253 Ca -0.00 -0.07 -0.08 0.00 -1.27 0.00 0.00 60.65 59.22 3jyh h LYS 253 Cb 0.02 -0.26 -0.02 0.00 -0.41 0.00 0.00 32.23 31.56 3jyh h LYS 253 CO 0.00 0.77 -0.04 -0.44 -2.27 0.00 0.00 179.45 177.47 3jyh h ASP 254 N 1.21 0.84 -0.73 4.20 3.32 -1.43 -0.86 116.42 122.96 3jyh h ASP 254 Ca 0.38 -0.33 -0.03 0.00 0.02 0.00 0.00 57.03 57.07 3jyh h ASP 254 Cb 0.02 -0.23 -0.03 0.00 0.22 0.00 0.00 39.33 39.31 3jyh h ASP 254 CO -0.12 0.97 0.34 0.25 -1.72 0.00 0.00 179.24 178.96 3jyh h LEU 255 N 0.69 0.98 -0.21 1.55 5.85 -1.11 -1.25 115.31 121.81 3jyh h LEU 255 Ca 0.12 -0.12 -0.17 0.00 0.84 0.00 0.00 57.88 58.55 3jyh h LEU 255 Cb 0.57 -0.25 0.00 0.00 0.37 0.00 0.00 40.66 41.35 3jyh h LEU 255 CO 0.03 0.84 -0.55 0.74 -0.34 0.00 0.00 178.44 179.17 3jyh h THR 256 N 1.07 1.30 -0.33 1.05 2.02 -0.95 -1.82 112.91 115.26 3jyh h THR 256 Ca 0.26 -1.76 0.06 0.00 0.77 0.00 0.00 66.41 65.73 3jyh h THR 256 Cb 0.14 1.86 -0.05 0.00 -1.74 0.00 0.00 68.15 68.35 3jyh h THR 256 CO -0.03 0.56 0.01 -0.61 0.37 0.00 0.00 175.52 175.82 3jyh h GLN 257 N 0.45 0.10 -0.50 6.66 5.75 -0.98 -1.04 115.11 125.56 3jyh h GLN 257 Ca -0.01 -0.01 -0.01 0.00 -0.15 0.00 0.00 58.65 58.47 3jyh h GLN 257 Cb 1.16 -0.02 -0.02 0.00 1.07 0.00 0.00 27.48 29.67 3jyh h GLN 257 CO 0.12 0.07 0.28 1.25 -2.65 0.00 0.00 178.83 177.89 3jyh h LEU 258 N 0.11 0.63 -0.51 -2.39 6.46 -1.16 -0.49 115.31 117.95 3jyh h LEU 258 Ca 0.16 -0.09 -0.05 0.00 -0.12 0.00 0.00 57.88 57.78 3jyh h LEU 258 Cb 0.21 -0.16 -0.02 0.00 -0.73 0.00 0.00 40.66 39.96 3jyh h LEU 258 CO -0.26 0.54 0.13 -0.26 -0.62 0.00 0.00 178.44 177.97 3jyh h PHE 259 N 0.67 0.85 0.10 1.25 0.04 -0.98 -0.58 116.94 118.29 3jyh h PHE 259 Ca 0.18 -0.10 -0.00 0.00 2.80 0.00 0.00 57.97 60.84 3jyh h PHE 259 Cb 0.05 -0.24 0.00 0.00 2.20 0.00 0.00 35.95 37.96 3jyh h PHE 259 CO -0.02 0.75 -0.05 0.52 -0.60 0.00 0.00 178.31 178.92 3jyh h MET 260 N 0.71 -0.12 -0.26 1.51 2.86 -0.98 0.21 114.93 118.85 3jyh h MET 260 Ca 0.16 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.87 3jyh h MET 260 Cb 0.32 0.03 -0.08 0.00 0.06 0.00 0.00 31.60 31.93 3jyh h MET 260 CO 0.00 -0.04 -0.29 0.35 1.06 0.00 0.00 176.91 177.99 3jyh h PHE 261 N -0.17 -0.79 -0.50 -0.22 3.57 -0.97 -1.09 116.94 116.76 3jyh h PHE 261 Ca -0.01 0.04 -0.07 0.00 3.53 0.00 0.00 57.97 61.46 3jyh h PHE 261 Cb 0.14 0.39 -0.02 0.00 2.79 0.00 0.00 35.95 39.25 3jyh h PHE 261 CO -0.06 -0.36 0.04 0.00 -2.23 0.00 0.00 178.31 175.70 3jyh h ALA 262 N 0.69 0.67 -0.69 2.41 0.00 -1.03 -3.05 119.26 118.25 3jyh h ALA 262 Ca 0.14 -0.26 0.04 0.00 0.00 0.00 0.00 54.91 54.83 3jyh h ALA 262 Cb 0.51 -0.19 -0.05 0.00 0.00 0.00 0.00 17.79 18.06 3jyh h ALA 262 CO -0.43 0.45 0.42 -0.09 0.00 0.00 0.00 179.25 179.60 3jyh h ARG 263 N 0.73 0.78 -0.62 0.00 2.43 -0.32 -2.74 114.38 114.65 3jyh h ARG 263 Ca 0.15 -0.05 0.07 0.00 -0.81 0.00 0.00 59.98 59.34 3jyh h ARG 263 Cb 0.46 -0.18 -0.04 0.00 -0.42 0.00 0.00 29.97 29.80 3jyh h ARG 263 CO 0.02 0.52 0.41 -0.97 -1.51 0.00 0.00 179.97 178.44 3jyh h ASN 264 N 0.81 0.51 -0.59 -3.80 -1.24 -1.10 -1.48 115.58 108.70 3jyh h ASN 264 Ca 0.29 0.00 0.11 0.00 0.71 0.00 0.00 56.30 57.42 3jyh h ASN 264 Cb 0.08 -0.11 -0.09 0.00 0.73 0.00 0.00 38.32 38.93 3jyh h ASN 264 CO -0.13 0.33 0.11 0.00 -1.29 0.00 0.00 177.43 176.45 3jyh h ALA 265 N 1.67 0.68 -0.53 1.57 0.00 -1.45 0.19 119.26 121.38 3jyh h ALA 265 Ca 0.27 0.14 -0.05 0.00 0.00 0.00 0.00 54.91 55.27 3jyh h ALA 265 Cb 0.31 0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.27 3jyh h ALA 265 CO -0.08 -0.32 0.15 0.74 0.00 0.00 0.00 179.25 179.74 3jyh h PHE 266 N 0.23 0.87 0.25 0.00 0.04 -1.34 -1.50 116.94 115.50 3jyh h PHE 266 Ca 0.31 -0.10 0.01 0.00 2.80 0.00 0.00 57.97 60.99 3jyh h PHE 266 Cb 0.46 -0.25 -0.03 0.00 2.20 0.00 0.00 35.95 38.34 3jyh h PHE 266 CO -0.26 0.76 -0.33 1.15 -0.60 0.00 0.00 178.31 179.02 3jyh h THR 267 N 0.74 0.31 -0.14 -1.55 2.02 -1.12 -0.29 112.91 112.87 3jyh h THR 267 Ca 0.17 0.00 0.05 0.00 0.77 0.00 0.00 66.41 67.40 3jyh h THR 267 Cb 0.31 0.31 -0.05 0.00 -1.74 0.00 0.00 68.15 66.97 3jyh h THR 267 CO -0.00 0.00 -0.20 0.58 0.37 0.00 0.00 175.52 176.27 3jyh h VAL 268 N -0.64 0.50 -0.96 3.16 2.07 -0.90 -0.13 116.25 119.35 3jyh h VAL 268 Ca 0.00 0.00 0.00 0.00 0.82 0.00 0.00 66.70 67.52 3jyh h VAL 268 Cb 0.61 0.50 -0.05 0.00 -1.52 0.00 0.00 31.29 30.83 3jyh h VAL 268 CO -0.11 0.00 0.62 -0.07 0.02 0.00 0.00 177.57 178.02 3jyh h LEU 269 N -0.25 1.11 -0.30 2.57 3.38 -1.11 -0.76 115.31 119.96 3jyh h LEU 269 Ca 0.10 -0.04 -0.05 0.00 0.09 0.00 0.00 57.88 57.98 3jyh h LEU 269 Cb 0.40 -0.28 -0.01 0.00 0.09 0.00 0.00 40.66 40.86 3jyh h LEU 269 CO -0.29 0.82 -0.03 0.00 0.09 0.00 0.00 178.44 179.04 3jyh h ALA 270 N 1.34 0.40 -0.50 1.53 0.00 -0.54 -2.42 119.26 119.08 3jyh h ALA 270 Ca 0.35 -0.25 -0.03 0.00 0.00 0.00 0.00 54.91 54.97 3jyh h ALA 270 Cb -0.12 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.54 3jyh h ALA 270 CO -0.07 0.18 0.18 0.52 0.00 0.00 0.00 179.25 180.06 3jyh h MET 271 N 0.32 0.73 -0.55 0.00 2.86 -0.80 -3.01 114.93 114.48 3jyh h MET 271 Ca 0.08 -0.11 -0.04 0.00 -2.06 0.00 0.00 59.70 57.56 3jyh h MET 271 Cb 0.48 -0.13 -0.03 0.00 0.06 0.00 0.00 31.60 31.99 3jyh h MET 271 CO 0.02 0.62 0.05 -1.33 1.06 0.00 0.00 176.91 177.33 3jyh n MET 272 N -4.33 4.30 -1.60 1.72 2.81 -0.31 -1.03 117.12 118.68 3jyh n MET 272 Ca 0.04 -3.10 -0.40 0.00 -1.81 0.00 0.00 57.70 52.42 3jyh n MET 272 Cb 0.17 -2.18 -0.04 0.00 -0.71 0.00 0.00 33.22 30.46 3jyh n MET 272 CO 0.00 0.00 0.00 -3.47 1.51 0.00 0.00 175.97 174.01 3jyh n ASP 273 N 0.24 3.14 -4.90 7.83 2.03 -0.91 -4.71 116.55 119.28 3jyh n ASP 273 Ca 0.29 -2.74 -0.31 0.00 0.52 0.00 0.00 54.79 52.55 3jyh n ASP 273 Cb 1.18 -1.41 -0.04 0.00 -0.72 0.00 0.00 41.12 40.13 3jyh n ASP 273 CO 0.00 0.00 0.00 -0.31 -1.92 0.00 0.00 177.20 174.97 3jyh s TYR 274 N 5.80 3.47 -2.00 -0.67 2.02 -1.26 -4.26 117.35 120.45 3jyh s TYR 274 Ca 0.57 0.23 0.02 0.00 -0.37 0.00 0.00 57.07 57.52 3jyh s TYR 274 Cb 0.10 -1.74 0.13 0.00 -0.40 0.00 0.00 41.96 40.05 3jyh s TYR 274 CO 0.08 0.58 0.82 -0.35 -1.57 0.00 0.00 175.55 175.11 3jyh n PRO 275 N 0.36 0.72 -3.80 -1.71 -0.04 -1.26 -0.47 135.00 128.79 3jyh n PRO 275 Ca -0.06 0.00 -0.10 0.00 -0.04 0.00 0.00 63.50 63.31 3jyh n PRO 275 Cb 0.51 -1.05 -0.06 0.00 -0.04 0.00 0.00 33.50 32.87 3jyh n PRO 275 CO 0.00 0.00 0.00 1.52 -0.04 0.00 0.00 175.50 176.98 3jyh s TYR 276 N -2.00 0.07 0.49 0.54 -0.85 -1.26 -4.62 117.35 109.72 3jyh s TYR 276 Ca 0.03 -0.44 -0.24 0.00 -0.52 0.00 0.00 57.07 55.91 3jyh s TYR 276 Cb 0.01 0.12 -0.07 0.00 0.38 0.00 0.00 41.96 42.40 3jyh s TYR 276 CO 0.02 -0.71 1.40 -2.14 -1.52 0.00 0.00 175.55 172.61 3jyh s PRO 277 N -3.88 3.45 0.23 -3.49 0.02 -1.26 -4.17 135.00 125.91 3jyh s PRO 277 Ca 0.09 2.35 -0.00 0.00 0.02 0.00 0.00 61.00 63.46 3jyh s PRO 277 Cb 0.02 -2.49 -0.03 0.00 0.02 0.00 0.00 34.50 32.02 3jyh s PRO 277 CO -0.07 -0.98 0.19 0.95 -0.33 0.00 0.00 177.00 176.76 3jyh s THR 278 N -1.24 0.00 -0.43 0.99 -4.23 -0.64 -4.93 115.64 105.16 3jyh s THR 278 Ca 0.65 -1.95 0.08 0.00 -1.18 0.00 0.00 61.69 59.29 3jyh s THR 278 Cb -0.43 -2.49 0.30 0.00 1.34 0.00 0.00 72.50 71.23 3jyh s THR 278 CO 0.53 0.00 0.87 -0.67 -0.54 0.00 0.00 174.62 174.81 3jyh n ASP 279 N -0.58 -1.25 0.00 3.99 2.03 -1.26 -0.60 116.55 118.88 3jyh n ASP 279 Ca 0.03 -3.28 0.00 0.00 0.52 0.00 0.00 54.79 52.06 3jyh n ASP 279 Cb 0.65 0.85 0.00 0.00 -0.72 0.00 0.00 41.12 41.90 3jyh n ASP 279 CO 0.00 0.00 0.00 0.33 -1.92 0.00 0.00 177.20 175.61 3jyh n PHE 280 N 0.79 0.00 0.08 -0.67 7.35 -1.26 -4.59 117.46 119.17 3jyh n PHE 280 Ca 0.14 0.00 -0.10 0.00 -0.76 0.00 0.00 57.45 56.73 3jyh n PHE 280 Cb 0.65 -0.18 -0.07 0.00 0.35 0.00 0.00 39.48 40.23 3jyh n PHE 280 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 3jyh h LEU 281 N 0.00 0.22 -7.22 -2.13 3.38 -2.00 -3.48 115.31 104.08 3jyh h LEU 281 Ca 0.00 -0.21 0.20 0.00 0.09 0.00 0.00 57.88 57.96 3jyh h LEU 281 Cb 0.00 -0.07 -0.13 0.00 0.09 0.00 0.00 40.66 40.55 3jyh h LEU 281 CO 0.00 1.09 0.62 -0.83 0.09 0.00 0.00 178.44 179.41 3jyh s GLY 282 N -4.61 -0.36 0.06 0.83 0.00 -1.26 -5.13 107.32 96.85 3jyh s GLY 282 Ca -0.02 0.84 -0.31 0.00 0.00 0.00 0.00 44.72 45.23 3jyh s GLY 282 CO 0.84 0.25 1.70 2.56 0.00 0.00 0.00 173.10 178.44 3jyh s PRO 283 N -2.89 4.18 0.03 2.90 0.04 -1.26 -4.02 135.00 133.99 3jyh s PRO 283 Ca 0.10 2.36 0.02 0.00 0.04 0.00 0.00 61.00 63.52 3jyh s PRO 283 Cb 0.00 -3.69 -0.02 0.00 0.04 0.00 0.00 34.50 30.83 3jyh s PRO 283 CO -0.04 -0.78 -0.07 -0.51 0.04 0.00 0.00 177.00 175.64 3jyh s LEU 284 N 2.97 2.18 1.20 -3.56 1.43 0.23 -4.88 118.68 118.25 3jyh s LEU 284 Ca 0.76 -0.41 -0.19 0.00 -1.03 0.00 0.00 54.13 53.25 3jyh s LEU 284 Cb -0.40 -0.21 0.29 0.00 0.03 0.00 0.00 46.19 45.90 3jyh s LEU 284 CO 0.33 -0.12 1.11 -2.16 0.23 0.00 0.00 176.35 175.74 3jyh s PRO 285 N -1.14 -1.20 0.43 1.29 0.04 -1.26 -1.62 135.00 131.54 3jyh s PRO 285 Ca -0.06 -0.06 -0.24 0.00 0.04 0.00 0.00 61.00 60.68 3jyh s PRO 285 Cb -0.08 -1.60 -0.08 0.00 0.04 0.00 0.00 34.50 32.78 3jyh s PRO 285 CO 0.00 -3.70 1.12 0.00 0.04 0.00 0.00 177.00 174.47 3jyh s ALA 286 N -3.01 3.03 -1.19 8.56 0.00 -1.26 -3.98 121.76 123.91 3jyh s ALA 286 Ca 0.71 0.85 -0.23 0.00 0.00 0.00 0.00 51.96 53.29 3jyh s ALA 286 Cb -0.10 -3.34 0.01 0.00 0.00 0.00 0.00 23.12 19.69 3jyh s ALA 286 CO 0.56 -0.48 0.71 0.09 0.00 0.00 0.00 175.76 176.65 3jyh n ASN 287 N -0.28 -4.41 0.28 0.00 5.03 0.38 -4.74 115.26 111.52 3jyh n ASN 287 Ca 0.06 -1.10 0.18 0.00 0.87 0.00 0.00 54.58 54.59 3jyh n ASN 287 Cb 0.48 -2.83 0.75 0.00 -1.02 0.00 0.00 39.78 37.16 3jyh n ASN 287 CO 0.00 0.00 0.00 1.55 -1.83 0.00 0.00 177.26 176.98 3jyh h PRO 288 N -2.10 0.00 -0.20 3.52 0.13 -1.78 -2.17 132.00 129.39 3jyh h PRO 288 Ca -0.68 0.00 -0.04 0.00 -0.87 0.00 0.00 66.00 64.41 3jyh h PRO 288 Cb 1.38 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.50 3jyh h PRO 288 CO 0.51 0.00 -0.02 0.28 -0.23 0.00 0.00 178.00 178.54 3jyh h VAL 289 N 0.00 1.27 -0.34 1.56 2.07 -1.89 -0.49 116.25 118.43 3jyh h VAL 289 Ca 0.00 -0.95 0.03 0.00 0.82 0.00 0.00 66.70 66.61 3jyh h VAL 289 Cb 0.43 1.48 -0.03 0.00 -1.52 0.00 0.00 31.29 31.65 3jyh h VAL 289 CO 0.00 0.29 0.13 0.50 0.02 0.00 0.00 177.57 178.51 3jyh h LYS 290 N 0.12 0.28 -0.63 1.57 3.64 -1.78 -1.25 116.57 118.52 3jyh h LYS 290 Ca 0.06 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.38 3jyh h LYS 290 Cb 0.44 -0.06 -0.03 0.00 -0.41 0.00 0.00 32.23 32.17 3jyh h LYS 290 CO 0.01 0.19 0.22 0.28 -2.27 0.00 0.00 179.45 177.88 3jyh h VAL 291 N 0.29 1.23 -0.24 2.00 2.07 -1.32 -0.20 116.25 120.08 3jyh h VAL 291 Ca 0.15 -0.76 -0.07 0.00 0.82 0.00 0.00 66.70 66.84 3jyh h VAL 291 Cb 0.11 0.51 -0.01 0.00 -1.52 0.00 0.00 31.29 30.38 3jyh h VAL 291 CO -0.14 0.30 -0.11 1.23 0.02 0.00 0.00 177.57 178.87 3jyh h GLY 292 N 1.02 0.53 0.89 2.17 0.00 -0.89 -1.74 103.07 105.06 3jyh h GLY 292 Ca 0.21 -0.48 0.02 0.00 0.00 0.00 0.00 47.33 47.08 3jyh h GLY 292 CO -0.01 0.44 0.16 0.00 0.00 0.00 0.00 176.54 177.12 3jyh h ASP 294 N 0.33 0.53 -0.46 0.00 3.32 -1.00 0.34 116.42 119.48 3jyh h ASP 294 Ca 0.12 0.03 -0.02 0.00 0.02 0.00 0.00 57.03 57.18 3jyh h ASP 294 Cb 0.02 -0.07 -0.02 0.00 0.22 0.00 0.00 39.33 39.48 3jyh h ASP 294 CO -0.07 0.34 0.21 0.03 -1.72 0.00 0.00 179.24 178.03 3jyh h ARG 295 N 0.66 0.67 -0.09 3.56 3.08 -1.10 -2.49 114.38 118.67 3jyh h ARG 295 Ca 0.30 -0.10 -0.02 0.00 0.07 0.00 0.00 59.98 60.22 3jyh h ARG 295 Cb 0.20 -0.12 -0.00 0.00 0.08 0.00 0.00 29.97 30.13 3jyh h ARG 295 CO -0.19 0.58 -0.02 1.25 -1.07 0.00 0.00 179.97 180.52 3jyh h LEU 296 N 0.60 0.18 0.00 3.04 6.46 -0.82 -3.09 115.31 121.68 3jyh h LEU 296 Ca 0.16 -0.37 0.00 0.00 -0.12 0.00 0.00 57.88 57.55 3jyh h LEU 296 Cb 0.14 -0.05 0.00 0.00 -0.73 0.00 0.00 40.66 40.02 3jyh h LEU 296 CO -0.02 0.50 0.00 0.18 -0.62 0.00 0.00 178.44 178.49 3jyh n LEU 297 N -4.78 0.00 -0.75 2.25 4.77 0.08 -2.62 117.00 115.95 3jyh n LEU 297 Ca -0.07 0.12 0.07 0.00 -0.03 0.00 0.00 56.01 56.10 3jyh n LEU 297 Cb 0.23 -0.12 0.17 0.00 -2.33 0.00 0.00 43.42 41.37 3jyh n LEU 297 CO 0.35 -0.05 0.63 -1.54 -1.33 0.00 0.00 177.39 175.45 3jyh n SER 298 N -1.12 2.97 -4.90 -1.43 3.41 -0.94 -4.97 113.62 106.65 3jyh n SER 298 Ca 0.12 -1.92 -0.34 0.00 -0.26 0.00 0.00 58.87 56.47 3jyh n SER 298 Cb 0.10 -0.24 -0.05 0.00 -0.26 0.00 0.00 64.21 63.76 3jyh n SER 298 CO 0.00 0.00 0.00 -1.61 -0.16 0.00 0.00 175.04 173.27 3jyh s GLU 299 N -1.03 3.48 0.08 4.33 0.41 -1.08 -5.03 118.70 119.88 3jyh s GLU 299 Ca 0.26 -0.23 -0.35 0.00 -0.41 0.00 0.00 54.97 54.25 3jyh s GLU 299 Cb 0.14 -3.09 -0.17 0.00 -1.78 0.00 0.00 34.13 29.23 3jyh s GLU 299 CO 0.19 0.67 1.58 0.00 -0.49 0.00 0.00 175.26 177.22 3jyh h ALA 300 N 3.94 -1.05 -2.68 5.21 0.00 -1.93 -3.44 119.26 119.31 3jyh h ALA 300 Ca -0.50 -0.18 -0.63 0.00 0.00 0.00 0.00 54.91 53.60 3jyh h ALA 300 Cb 1.19 0.62 -0.06 0.00 0.00 0.00 0.00 17.79 19.55 3jyh h ALA 300 CO 0.67 -1.12 -0.33 -0.65 0.00 0.00 0.00 179.25 177.82 3jyh s GLN 301 N -5.94 3.68 0.22 0.00 1.11 -1.26 -5.02 119.66 112.45 3jyh s GLN 301 Ca -0.18 0.10 -0.08 0.00 0.01 0.00 0.00 55.36 55.21 3jyh s GLN 301 Cb 0.04 -3.13 0.18 0.00 -1.01 0.00 0.00 33.01 29.09 3jyh s GLN 301 CO 0.61 0.68 1.84 0.00 0.01 0.00 0.00 175.29 178.43 3jyh h ARG 302 N 4.39 1.17 -0.66 2.91 2.47 -1.93 0.10 114.38 122.84 3jyh h ARG 302 Ca -0.52 -0.14 -0.06 0.00 -1.26 0.00 0.00 59.98 58.00 3jyh h ARG 302 Cb 1.21 -0.23 -0.03 0.00 -1.65 0.00 0.00 29.97 29.28 3jyh h ARG 302 CO 0.63 0.86 0.16 0.82 0.56 0.00 0.00 179.97 183.00 3jyh h ILE 303 N 1.17 1.25 -0.13 2.04 2.04 -1.94 0.83 117.51 122.77 3jyh h ILE 303 Ca 0.29 -0.93 -0.01 0.00 1.00 0.00 0.00 64.86 65.22 3jyh h ILE 303 Cb 0.04 0.57 -0.01 0.00 -0.74 0.00 0.00 36.82 36.68 3jyh h ILE 303 CO -0.05 0.35 0.05 0.74 0.00 0.00 0.00 178.15 179.25 3jyh h THR 304 N 0.99 1.15 -0.71 -0.27 2.02 -1.70 -0.38 112.91 114.02 3jyh h THR 304 Ca 0.21 -0.45 0.13 0.00 0.77 0.00 0.00 66.41 67.07 3jyh h THR 304 Cb 0.35 1.21 -0.09 0.00 -1.74 0.00 0.00 68.15 67.87 3jyh h THR 304 CO 0.00 0.14 0.26 1.23 0.37 0.00 0.00 175.52 177.52 3jyh h GLY 305 N 0.06 1.04 0.98 2.16 0.00 -0.24 0.28 103.07 107.34 3jyh h GLY 305 Ca 0.04 -0.12 -0.06 0.00 0.00 0.00 0.00 47.33 47.19 3jyh h GLY 305 CO -0.00 -0.09 0.04 -2.00 0.00 0.00 0.00 176.54 174.48 3jyh h LEU 306 N 0.40 0.77 -0.61 3.11 5.85 -0.79 -1.59 115.31 122.45 3jyh h LEU 306 Ca 0.38 -0.28 0.09 0.00 0.84 0.00 0.00 57.88 58.91 3jyh h LEU 306 Cb 0.57 -0.20 -0.07 0.00 0.37 0.00 0.00 40.66 41.32 3jyh h LEU 306 CO -0.40 0.86 0.22 -0.09 -0.34 0.00 0.00 178.44 178.69 3jyh h ARG 307 N 0.65 0.38 -0.23 1.25 2.43 -0.09 -1.25 114.38 117.52 3jyh h ARG 307 Ca 0.14 -0.02 -0.20 0.00 -0.81 0.00 0.00 59.98 59.09 3jyh h ARG 307 Cb 0.44 -0.09 0.00 0.00 -0.42 0.00 0.00 29.97 29.91 3jyh h ARG 307 CO 0.02 0.25 -0.62 0.00 -1.51 0.00 0.00 179.97 178.11 3jyh h ALA 308 N 1.42 0.39 -0.21 2.80 0.00 -0.75 -1.84 119.26 121.07 3jyh h ALA 308 Ca 0.31 -0.54 0.03 0.00 0.00 0.00 0.00 54.91 54.70 3jyh h ALA 308 Cb 0.38 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 18.10 3jyh h ALA 308 CO -0.31 0.66 0.04 1.25 0.00 0.00 0.00 179.25 180.88 3jyh h LEU 309 N 0.59 0.01 -1.93 0.00 6.46 -1.14 -2.30 115.31 117.01 3jyh h LEU 309 Ca -0.01 0.03 0.02 0.00 -0.12 0.00 0.00 57.88 57.80 3jyh h LEU 309 Cb 1.24 0.04 -0.01 0.00 -0.73 0.00 0.00 40.66 41.20 3jyh h LEU 309 CO 0.13 0.04 0.09 0.00 -0.62 0.00 0.00 178.44 178.08 3jyh h ALA 310 N 1.15 2.01 -0.63 1.25 0.00 -1.13 -2.74 119.26 119.16 3jyh h ALA 310 Ca 0.09 -0.01 0.10 0.00 0.00 0.00 0.00 54.91 55.10 3jyh h ALA 310 Cb 0.09 -0.02 -0.04 0.00 0.00 0.00 0.00 17.79 17.82 3jyh h ALA 310 CO -0.12 -0.03 0.42 0.78 0.00 0.00 0.00 179.25 180.29 3jyh h GLY 311 N 0.09 0.63 1.03 0.00 0.00 -0.73 -0.14 103.07 103.96 3jyh h GLY 311 Ca 0.06 -0.18 0.12 0.00 0.00 0.00 0.00 47.33 47.33 3jyh h GLY 311 CO -0.01 0.11 0.37 1.41 0.00 0.00 0.00 176.54 178.42 3jyh h LEU 312 N 0.44 0.16 0.04 3.11 3.38 -1.52 0.56 115.31 121.49 3jyh h LEU 312 Ca 0.29 0.01 -0.38 0.00 0.09 0.00 0.00 57.88 57.89 3jyh h LEU 312 Cb 0.55 -0.03 -0.05 0.00 0.09 0.00 0.00 40.66 41.22 3jyh h LEU 312 CO -0.09 0.09 -2.30 0.52 0.09 0.00 0.00 178.44 176.76 3jyh n VAL 313 N -4.43 1.59 0.56 1.22 0.31 -0.48 -4.37 118.33 112.73 3jyh n VAL 313 Ca 0.09 -0.57 0.06 0.00 -0.01 0.00 0.00 64.34 63.91 3jyh n VAL 313 Cb 0.48 -1.56 -0.01 0.00 -0.91 0.00 0.00 33.84 31.84 3jyh n VAL 313 CO 0.00 0.00 0.00 -1.22 -1.32 0.00 0.00 176.83 174.29 3jyh n TYR 314 N -3.42 0.00 -2.73 3.52 4.01 -0.19 -4.61 117.16 113.75 3jyh n TYR 314 Ca -0.42 0.00 -0.05 0.00 -0.16 0.00 0.00 57.90 57.28 3jyh n TYR 314 Cb 1.00 0.00 0.06 0.00 -0.31 0.00 0.00 39.34 40.08 3jyh n TYR 314 CO 0.00 0.00 0.00 -1.71 -0.46 0.00 0.00 176.86 174.69 3jyh n ASN 315 N -0.29 0.80 -0.12 7.72 5.15 0.19 -4.85 115.26 123.86 3jyh n ASN 315 Ca 0.05 -2.38 -0.03 0.00 -0.60 0.00 0.00 54.58 51.63 3jyh n ASN 315 Cb 0.26 -0.21 0.20 0.00 -0.53 0.00 0.00 39.78 39.50 3jyh n ASN 315 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 3jyh h ALA 316 N 2.54 1.23 -0.00 5.20 0.00 -1.66 -2.40 119.26 124.17 3jyh h ALA 316 Ca -0.17 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.54 3jyh h ALA 316 Cb 1.24 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.81 3jyh h ALA 316 CO 0.25 0.53 -0.13 -1.13 0.00 0.00 0.00 179.25 178.77 3jyh n SER 317 N -4.28 0.56 -0.16 0.00 3.41 -1.26 -4.92 113.62 106.98 3jyh n SER 317 Ca 0.04 -0.64 -0.02 0.00 -0.26 0.00 0.00 58.87 57.99 3jyh n SER 317 Cb 0.22 -0.04 -0.01 0.00 -0.26 0.00 0.00 64.21 64.12 3jyh n SER 317 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3jyh n GLY 318 N 1.28 0.47 0.08 5.00 0.00 -0.90 -4.93 105.19 106.20 3jyh n GLY 318 Ca 0.14 -0.15 0.11 0.00 0.00 0.00 0.00 46.02 46.13 3jyh n GLY 318 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3jyh n SER 319 N -0.19 0.67 -4.66 1.61 7.64 -1.26 -4.85 113.62 112.57 3jyh n SER 319 Ca -0.02 0.19 -0.43 0.00 1.01 0.00 0.00 58.87 59.62 3jyh n SER 319 Cb 0.23 0.74 -0.02 0.00 -1.01 0.00 0.00 64.21 64.14 3jyh n SER 319 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 3jyh s GLU 320 N -3.36 4.26 0.15 1.43 0.41 -1.26 -4.90 118.70 115.43 3jyh s GLU 320 Ca -0.01 1.51 -0.01 0.00 -0.41 0.00 0.00 54.97 56.05 3jyh s GLU 320 Cb 0.11 -3.69 -0.05 0.00 -1.78 0.00 0.00 34.13 28.73 3jyh s GLU 320 CO 0.81 -0.64 1.34 0.45 -0.49 0.00 0.00 175.26 176.73 3jyh h HIS 321 N 7.76 0.48 -4.27 1.61 3.86 -1.97 -3.47 115.15 119.15 3jyh h HIS 321 Ca -0.24 -0.26 -0.15 0.00 -1.16 0.00 0.00 60.37 58.56 3jyh h HIS 321 Cb 1.09 -0.06 -0.15 0.00 1.06 0.00 0.00 27.41 29.36 3jyh h HIS 321 CO 0.77 1.07 -0.59 0.00 0.86 0.00 0.00 177.93 180.03 3jyh s TYR 323 N -4.00 3.18 -1.10 0.00 2.02 0.16 -4.78 117.35 112.83 3jyh s TYR 323 Ca 0.18 0.18 -0.20 0.00 -0.37 0.00 0.00 57.07 56.85 3jyh s TYR 323 Cb 0.07 -2.92 0.08 0.00 -0.40 0.00 0.00 41.96 38.79 3jyh s TYR 323 CO -0.02 -0.54 1.48 0.34 -1.57 0.00 0.00 175.55 175.25 3jyh s ASP 324 N 1.76 6.66 0.65 2.29 -1.08 -1.26 -1.22 116.67 124.47 3jyh s ASP 324 Ca 0.18 -1.95 0.36 0.00 -0.52 0.00 0.00 52.55 50.62 3jyh s ASP 324 Cb -0.15 -2.53 2.00 0.00 -1.46 0.00 0.00 42.92 40.77 3jyh s ASP 324 CO 0.13 -1.28 2.18 0.16 0.52 0.00 0.00 175.17 176.88 3jyh h ILE 325 N 6.12 0.14 0.00 4.11 3.07 -1.95 0.64 117.51 129.64 3jyh h ILE 325 Ca 0.27 0.00 -0.25 0.00 1.55 0.00 0.00 64.86 66.43 3jyh h ILE 325 Cb 0.96 0.87 -0.04 0.00 -0.27 0.00 0.00 36.82 38.33 3jyh h ILE 325 CO 1.37 0.00 -1.76 -1.22 -1.05 0.00 0.00 178.15 175.50 3jyh n TYR 326 N -3.23 0.75 0.04 0.16 4.01 -1.26 -3.73 117.16 113.90 3jyh n TYR 326 Ca -0.02 0.26 -0.11 0.00 -0.16 0.00 0.00 57.90 57.88 3jyh n TYR 326 Cb 0.22 -1.08 -0.13 0.00 -0.31 0.00 0.00 39.34 38.03 3jyh n TYR 326 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 3jyh h ARG 327 N 0.00 0.09 0.00 -0.72 2.47 -1.72 -3.37 114.38 111.13 3jyh h ARG 327 Ca -0.28 -0.16 0.00 0.00 -1.26 0.00 0.00 59.98 58.28 3jyh h ARG 327 Cb 1.86 0.06 0.00 0.00 -1.65 0.00 0.00 29.97 30.24 3jyh h ARG 327 CO 0.05 0.92 -0.19 1.28 0.56 0.00 0.00 179.97 182.59 3jyh n LEU 328 N -3.31 0.72 -3.66 3.04 4.77 0.13 -4.74 117.00 113.94 3jyh n LEU 328 Ca -0.10 0.46 -0.07 0.00 -0.03 0.00 0.00 56.01 56.27 3jyh n LEU 328 Cb 1.00 -0.29 -0.08 0.00 -2.33 0.00 0.00 43.42 41.72 3jyh n LEU 328 CO 0.48 -0.12 0.12 -0.47 -1.33 0.00 0.00 177.39 176.06 3jyh s TYR 329 N -3.11 -0.93 -0.27 -1.77 5.04 -1.24 -4.93 117.35 110.13 3jyh s TYR 329 Ca 0.10 1.75 -0.08 0.00 -2.44 0.00 0.00 57.07 56.39 3jyh s TYR 329 Cb 0.13 0.46 -0.02 0.00 0.35 0.00 0.00 41.96 42.88 3jyh s TYR 329 CO 0.63 -0.51 0.10 -1.01 -1.34 0.00 0.00 175.55 173.42 3jyh s HIS 330 N 2.39 3.13 -0.01 4.97 3.76 -1.26 -4.46 115.29 123.81 3jyh s HIS 330 Ca -0.05 -0.49 -0.30 0.00 -0.15 0.00 0.00 55.06 54.07 3jyh s HIS 330 Cb -0.11 -2.28 -0.06 0.00 1.11 0.00 0.00 32.58 31.24 3jyh s HIS 330 CO -0.15 -0.40 1.51 -1.12 -0.85 0.00 0.00 174.74 173.73 3jyh s SER 331 N 1.61 6.76 0.25 1.40 0.01 -1.26 -4.25 113.70 118.22 3jyh s SER 331 Ca 0.05 2.20 0.02 0.00 1.31 0.00 0.00 55.95 59.54 3jyh s SER 331 Cb -0.16 -2.55 -0.01 0.00 0.21 0.00 0.00 66.02 63.51 3jyh s SER 331 CO 0.05 -0.81 0.28 0.00 0.41 0.00 0.00 173.24 173.17 3jyh n ALA 333 N -1.33 1.55 -3.14 0.00 0.00 -1.26 -4.23 120.51 112.10 3jyh n ALA 333 Ca -0.09 -0.04 -0.38 0.00 0.00 0.00 0.00 53.44 52.93 3jyh n ALA 333 Cb 0.43 -1.14 -0.12 0.00 0.00 0.00 0.00 19.45 18.62 3jyh n ALA 333 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 3jyh s ASP 334 N -2.63 5.34 0.07 0.00 -1.08 -1.26 -4.62 116.67 112.48 3jyh s ASP 334 Ca 0.08 -0.98 0.23 0.00 -0.52 0.00 0.00 52.55 51.35 3jyh s ASP 334 Cb 0.06 -1.90 0.92 0.00 -1.46 0.00 0.00 42.92 40.54 3jyh s ASP 334 CO 0.13 -0.30 1.71 -0.81 0.52 0.00 0.00 175.17 176.43 3jyh n PRO 335 N 4.86 0.07 -0.09 4.34 -0.04 -1.26 -1.26 135.00 141.61 3jyh n PRO 335 Ca -0.13 0.18 0.10 0.00 -0.04 0.00 0.00 63.50 63.61 3jyh n PRO 335 Cb 0.46 -1.60 0.34 0.00 -0.04 0.00 0.00 33.50 32.66 3jyh n PRO 335 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 3jyh n THR 336 N -1.72 0.25 0.00 0.52 -2.24 -1.26 -4.95 114.28 104.88 3jyh n THR 336 Ca 0.05 -0.37 0.00 0.00 -2.27 0.00 0.00 64.05 61.46 3jyh n THR 336 Cb 0.28 0.35 0.00 0.00 -2.10 0.00 0.00 70.33 68.86 3jyh n THR 336 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3jyh n GLY 337 N 1.12 0.93 0.08 3.38 0.00 -0.39 -4.95 105.19 105.36 3jyh n GLY 337 Ca 0.16 -1.45 -0.01 0.00 0.00 0.00 0.00 46.02 44.72 3jyh n GLY 337 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3jyh n GLY 339 N 1.46 -0.81 3.29 0.00 0.00 -1.26 -4.34 105.19 103.53 3jyh n GLY 339 Ca -0.14 -1.84 -0.15 0.00 0.00 0.00 0.00 46.02 43.88 3jyh n GLY 339 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3jyh s THR 340 N 0.00 0.81 0.00 2.61 -4.23 -1.26 -4.28 115.64 109.29 3jyh s THR 340 Ca 0.00 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 58.50 3jyh s THR 340 Cb 0.00 -2.29 0.00 0.00 1.34 0.00 0.00 72.50 71.55 3jyh s THR 340 CO 0.00 -0.34 0.00 0.61 -0.54 0.00 0.00 174.62 174.35 3jyh n GLY 341 N -0.35 -2.28 0.39 3.99 0.00 -1.26 -3.74 105.19 101.94 3jyh n GLY 341 Ca -0.05 -1.56 0.16 0.00 0.00 0.00 0.00 46.02 44.57 3jyh n GLY 341 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3jyh h PRO 342 N 0.00 0.53 0.00 1.61 0.13 -1.98 -1.00 132.00 131.29 3jyh h PRO 342 Ca 0.00 -0.03 -0.08 0.00 -0.87 0.00 0.00 66.00 65.02 3jyh h PRO 342 Cb 0.00 -0.12 -0.01 0.00 0.13 0.00 0.00 31.00 31.00 3jyh h PRO 342 CO 0.00 0.35 -0.36 -0.44 -0.23 0.00 0.00 178.00 177.32 3jyh h ASP 343 N 0.54 0.00 -0.40 1.44 3.32 -1.87 -2.11 116.42 117.35 3jyh h ASP 343 Ca 0.49 0.00 -0.11 0.00 0.02 0.00 0.00 57.03 57.42 3jyh h ASP 343 Cb 1.02 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.56 3jyh h ASP 343 CO -0.22 0.36 -0.20 0.00 -1.72 0.00 0.00 179.24 177.46 3jyh h ALA 344 N 1.64 0.56 -0.61 3.45 0.00 -1.27 -2.63 119.26 120.39 3jyh h ALA 344 Ca -0.00 -0.37 -0.09 0.00 0.00 0.00 0.00 54.91 54.44 3jyh h ALA 344 Cb 0.86 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 18.50 3jyh h ALA 344 CO 0.05 0.52 0.01 0.00 0.00 0.00 0.00 179.25 179.82 3jyh h ARG 345 N 0.64 1.06 -0.35 0.00 3.08 -1.14 -1.93 114.38 115.75 3jyh h ARG 345 Ca 0.09 -0.33 -0.11 0.00 0.07 0.00 0.00 59.98 59.69 3jyh h ARG 345 Cb 0.76 -0.10 -0.01 0.00 0.08 0.00 0.00 29.97 30.70 3jyh h ARG 345 CO 0.06 1.03 -0.22 0.00 -1.07 0.00 0.00 179.97 179.77 3jyh h ALA 346 N 1.02 0.49 -0.50 0.04 0.00 -1.44 -1.56 119.26 117.31 3jyh h ALA 346 Ca 0.17 -0.38 -0.07 0.00 0.00 0.00 0.00 54.91 54.64 3jyh h ALA 346 Cb 0.55 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 3jyh h ALA 346 CO 0.03 0.46 0.03 2.35 0.00 0.00 0.00 179.25 182.12 3jyh h TRP 347 N 0.54 0.87 -0.66 0.00 2.91 -1.40 -2.21 115.95 116.01 3jyh h TRP 347 Ca 0.07 -0.11 -0.03 0.00 1.13 0.00 0.00 58.89 59.94 3jyh h TRP 347 Cb 0.78 -0.24 -0.03 0.00 -0.51 0.00 0.00 29.16 29.16 3jyh h TRP 347 CO 0.06 0.78 0.29 0.22 -1.03 0.00 0.00 178.44 178.76 3jyh h ASP 348 N 0.77 0.89 -0.37 2.65 3.58 -1.20 0.33 116.42 123.07 3jyh h ASP 348 Ca 0.15 -0.16 0.03 0.00 0.42 0.00 0.00 57.03 57.47 3jyh h ASP 348 Cb 0.42 -0.23 -0.03 0.00 1.72 0.00 0.00 39.33 41.21 3jyh h ASP 348 CO 0.02 0.80 0.19 0.22 -2.88 0.00 0.00 179.24 177.59 3jyh h TYR 349 N 0.92 0.35 -0.60 0.28 3.20 -0.98 -0.56 116.97 119.59 3jyh h TYR 349 Ca 0.22 0.01 0.03 0.00 3.14 0.00 0.00 58.73 62.14 3jyh h TYR 349 Cb 0.17 -0.11 -0.04 0.00 1.54 0.00 0.00 36.73 38.29 3jyh h TYR 349 CO 0.01 0.19 0.36 1.96 -1.64 0.00 0.00 178.16 179.04 3jyh h GLN 350 N 0.39 0.69 0.00 1.82 4.20 -0.95 -2.41 115.11 118.85 3jyh h GLN 350 Ca 0.16 -0.04 0.00 0.00 0.06 0.00 0.00 58.65 58.83 3jyh h GLN 350 Cb 0.06 -0.15 0.00 0.00 0.30 0.00 0.00 27.48 27.68 3jyh h GLN 350 CO -0.10 0.45 0.00 0.00 -0.67 0.00 0.00 178.83 178.51 3jyh n ALA 351 N -2.30 1.62 1.18 3.87 0.00 0.07 -1.21 120.51 123.75 3jyh n ALA 351 Ca 0.05 0.10 0.12 0.00 0.00 0.00 0.00 53.44 53.71 3jyh n ALA 351 Cb 0.09 -1.39 0.26 0.00 0.00 0.00 0.00 19.45 18.41 3jyh n ALA 351 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jyh n THR 353 N -0.21 0.35 -0.06 0.00 -2.24 -0.77 -3.10 114.28 108.24 3jyh n THR 353 Ca 0.12 0.12 -0.08 0.00 -2.27 0.00 0.00 64.05 61.94 3jyh n THR 353 Cb 0.40 -0.86 -0.06 0.00 -2.10 0.00 0.00 70.33 67.71 3jyh n THR 353 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3jyh n GLU 354 N -2.97 0.86 -2.93 -0.78 1.02 -0.58 -1.88 120.64 113.38 3jyh n GLU 354 Ca 0.00 0.05 -0.42 0.00 -0.02 0.00 0.00 57.16 56.77 3jyh n GLU 354 Cb 0.00 -1.25 -0.05 0.00 -0.02 0.00 0.00 31.44 30.12 3jyh n GLU 354 CO 0.00 0.00 0.00 0.42 1.18 0.00 0.00 177.13 178.73 3jyh s ILE 355 N -2.25 4.78 -0.52 -3.67 -1.09 -0.35 -4.50 121.20 113.60 3jyh s ILE 355 Ca -0.14 1.22 -0.19 0.00 -2.23 0.00 0.00 60.65 59.32 3jyh s ILE 355 Cb 0.04 -4.16 0.07 0.00 -1.58 0.00 0.00 42.46 36.83 3jyh s ILE 355 CO 0.32 -0.25 0.63 0.20 -1.23 0.00 0.00 174.94 174.61 3jyh s ASN 356 N 1.61 6.21 -0.48 3.58 0.01 -0.99 -4.29 114.94 120.60 3jyh s ASN 356 Ca 0.33 -1.04 0.07 0.00 -0.71 0.00 0.00 52.86 51.52 3jyh s ASN 356 Cb -0.14 -2.29 0.38 0.00 0.41 0.00 0.00 41.25 39.62 3jyh s ASN 356 CO 0.12 -0.92 0.98 0.18 -1.51 0.00 0.00 177.10 175.95 3jyh n LEU 357 N 6.15 3.74 -4.41 0.60 4.77 -1.26 -4.06 117.00 122.52 3jyh n LEU 357 Ca -0.07 -5.22 -0.43 0.00 -0.03 0.00 0.00 56.01 50.25 3jyh n LEU 357 Cb 0.45 -0.24 0.00 0.00 -2.33 0.00 0.00 43.42 41.29 3jyh n LEU 357 CO 0.54 2.22 1.67 0.35 -1.33 0.00 0.00 177.39 180.85 3jyh n THR 358 N -0.24 4.14 -4.50 -5.08 -2.24 -1.26 -4.25 114.28 100.86 3jyh n THR 358 Ca 0.30 -4.45 -0.32 0.00 -2.27 0.00 0.00 64.05 57.31 3jyh n THR 358 Cb 0.57 -2.43 -0.11 0.00 -2.10 0.00 0.00 70.33 66.26 3jyh n THR 358 CO 0.00 0.00 0.00 -0.36 -0.57 0.00 0.00 175.07 174.14 3jyh s PHE 359 N 2.29 2.89 0.07 4.78 0.08 -1.26 -4.70 117.98 122.12 3jyh s PHE 359 Ca 0.46 -0.03 0.03 0.00 0.12 0.00 0.00 56.93 57.51 3jyh s PHE 359 Cb 0.01 -1.63 -0.03 0.00 -0.57 0.00 0.00 43.02 40.80 3jyh s PHE 359 CO 0.02 0.36 -0.09 0.00 -0.10 0.00 0.00 175.22 175.42 3jyh s ALA 360 N -0.96 0.82 0.09 5.36 0.00 -0.44 -4.27 121.76 122.35 3jyh s ALA 360 Ca 0.16 -0.98 0.03 0.00 0.00 0.00 0.00 51.96 51.17 3jyh s ALA 360 Cb -0.11 0.04 -0.04 0.00 0.00 0.00 0.00 23.12 23.01 3jyh s ALA 360 CO 0.06 -0.04 0.10 -1.54 0.00 0.00 0.00 175.76 174.35 3jyh s SER 361 N -2.02 5.62 0.00 0.00 1.04 -1.13 -4.50 113.70 112.71 3jyh s SER 361 Ca -0.02 0.01 0.00 0.00 0.48 0.00 0.00 55.95 56.41 3jyh s SER 361 Cb -0.06 -1.53 0.00 0.00 0.10 0.00 0.00 66.02 64.53 3jyh s SER 361 CO -0.00 0.16 0.10 -0.46 0.98 0.00 0.00 173.24 174.02 3jyh n ASN 362 N 0.34 0.20 0.00 7.02 0.23 -1.24 -1.22 115.26 120.58 3jyh n ASN 362 Ca -0.08 -0.63 0.00 0.00 -0.53 0.00 0.00 54.58 53.34 3jyh n ASN 362 Cb 0.52 0.16 0.00 0.00 -2.08 0.00 0.00 39.78 38.38 3jyh n ASN 362 CO 0.00 0.00 0.00 -3.20 -0.93 0.00 0.00 177.26 173.13 3jyh n ASN 363 N -0.16 -4.77 0.01 0.53 5.15 -0.59 -4.62 115.26 110.81 3jyh n ASN 363 Ca 0.00 0.00 -0.02 0.00 -0.60 0.00 0.00 54.58 53.96 3jyh n ASN 363 Cb 0.09 -2.52 -0.01 0.00 -0.53 0.00 0.00 39.78 36.82 3jyh n ASN 363 CO 0.00 0.00 0.00 0.52 1.40 0.00 0.00 177.26 179.18 3jyh n VAL 364 N -2.29 0.54 1.19 3.44 0.31 -1.26 -4.75 118.33 115.51 3jyh n VAL 364 Ca 0.00 0.12 0.13 0.00 -0.01 0.00 0.00 64.34 64.58 3jyh n VAL 364 Cb 0.32 -1.58 0.31 0.00 -0.91 0.00 0.00 33.84 31.98 3jyh n VAL 364 CO 0.00 0.00 0.00 0.35 -1.32 0.00 0.00 176.83 175.86 3jyh n THR 365 N -3.28 0.00 -4.28 2.52 -2.24 -1.26 -4.93 114.28 100.82 3jyh n THR 365 Ca -0.03 -0.14 -0.16 0.00 -2.27 0.00 0.00 64.05 61.45 3jyh n THR 365 Cb 0.36 0.53 -0.10 0.00 -2.10 0.00 0.00 70.33 69.02 3jyh n THR 365 CO 0.00 0.00 0.00 1.51 -0.57 0.00 0.00 175.07 176.01 3jyh s ASP 366 N -2.53 0.94 -0.07 3.42 1.47 -1.26 -4.43 116.67 114.22 3jyh s ASP 366 Ca 0.23 -1.46 0.13 0.00 1.18 0.00 0.00 52.55 52.62 3jyh s ASP 366 Cb 0.19 0.33 0.49 0.00 -0.34 0.00 0.00 42.92 43.59 3jyh s ASP 366 CO 0.54 -0.83 1.35 1.15 0.68 0.00 0.00 175.17 178.06 3jyh n MET 367 N -0.44 2.82 -3.96 2.11 0.00 -1.26 -3.86 117.12 112.53 3jyh n MET 367 Ca 0.02 -1.94 -0.22 0.00 0.00 0.00 0.00 57.70 55.56 3jyh n MET 367 Cb 0.66 -1.67 -0.04 0.00 0.00 0.00 0.00 33.22 32.16 3jyh n MET 367 CO 0.00 0.00 0.00 -0.06 0.00 0.00 0.00 175.97 175.91 3jyh s PHE 368 N -1.72 2.96 1.24 3.17 0.08 -1.26 -4.36 117.98 118.09 3jyh s PHE 368 Ca 0.35 -0.23 -0.16 0.00 0.12 0.00 0.00 56.93 57.01 3jyh s PHE 368 Cb 0.22 -1.61 0.31 0.00 -0.57 0.00 0.00 43.02 41.37 3jyh s PHE 368 CO 0.17 0.34 1.00 -2.14 -0.10 0.00 0.00 175.22 174.50 3jyh s PRO 369 N -3.91 -1.50 -0.70 0.24 0.02 -1.26 -1.54 135.00 126.34 3jyh s PRO 369 Ca 0.37 0.55 -0.24 0.00 0.02 0.00 0.00 61.00 61.70 3jyh s PRO 369 Cb -0.06 -1.51 0.06 0.00 0.02 0.00 0.00 34.50 33.00 3jyh s PRO 369 CO 0.25 -4.04 1.10 0.34 -0.33 0.00 0.00 177.00 174.32 3jyh s ASP 370 N -2.81 6.19 -0.50 2.53 2.15 -1.26 -3.69 116.67 119.26 3jyh s ASP 370 Ca 0.68 -0.83 0.03 0.00 0.43 0.00 0.00 52.55 52.87 3jyh s ASP 370 Cb -0.21 -2.47 0.14 0.00 -0.30 0.00 0.00 42.92 40.08 3jyh s ASP 370 CO 0.62 -1.58 0.30 -0.76 -0.17 0.00 0.00 175.17 173.58 3jyh s LEU 371 N 4.68 3.29 0.38 -1.34 1.43 -0.36 -4.99 118.68 121.77 3jyh s LEU 371 Ca 0.28 -2.98 -0.26 0.00 -1.03 0.00 0.00 54.13 50.13 3jyh s LEU 371 Cb -0.13 -1.21 -0.09 0.00 0.03 0.00 0.00 46.19 44.80 3jyh s LEU 371 CO 0.11 -0.21 1.14 -2.84 0.23 0.00 0.00 176.35 174.78 3jyh s PRO 372 N -0.15 4.18 -0.02 1.29 0.02 -1.26 -2.85 135.00 136.21 3jyh s PRO 372 Ca 0.20 1.79 0.01 0.00 0.02 0.00 0.00 61.00 63.02 3jyh s PRO 372 Cb -0.18 -2.75 0.01 0.00 0.02 0.00 0.00 34.50 31.61 3jyh s PRO 372 CO -0.05 -0.20 -0.02 0.12 -0.33 0.00 0.00 177.00 176.52 3jyh s PHE 373 N -1.41 0.34 0.08 6.54 5.36 -1.26 -5.00 117.98 122.63 3jyh s PHE 373 Ca 0.55 -0.04 -0.07 0.00 -0.96 0.00 0.00 56.93 56.40 3jyh s PHE 373 Cb -0.30 -0.34 -0.01 0.00 -0.34 0.00 0.00 43.02 42.04 3jyh s PHE 373 CO 0.38 -0.08 0.15 0.95 -1.46 0.00 0.00 175.22 175.16 3jyh s THR 374 N 0.55 0.15 0.31 0.12 -4.23 -1.26 -4.59 115.64 106.68 3jyh s THR 374 Ca -0.06 -1.25 0.04 0.00 -1.18 0.00 0.00 61.69 59.24 3jyh s THR 374 Cb -0.09 -1.31 0.30 0.00 1.34 0.00 0.00 72.50 72.74 3jyh s THR 374 CO -0.01 -0.69 1.86 0.44 -0.54 0.00 0.00 174.62 175.68 3jyh h ASP 375 N 2.90 0.84 -0.14 3.99 3.32 -1.98 -0.37 116.42 124.98 3jyh h ASP 375 Ca -0.34 0.04 -0.00 0.00 0.02 0.00 0.00 57.03 56.75 3jyh h ASP 375 Cb 1.19 -0.13 -0.01 0.00 0.22 0.00 0.00 39.33 40.60 3jyh h ASP 375 CO 0.57 0.46 0.08 -0.08 -1.72 0.00 0.00 179.24 178.54 3jyh h GLU 376 N 0.91 0.20 -0.46 3.56 4.57 -1.99 0.15 114.58 121.52 3jyh h GLU 376 Ca 0.46 -0.02 -0.01 0.00 -1.18 0.00 0.00 59.36 58.61 3jyh h GLU 376 Cb 0.51 -0.04 -0.02 0.00 -0.16 0.00 0.00 28.75 29.04 3jyh h GLU 376 CO -0.23 0.21 0.24 -0.07 -1.18 0.00 0.00 179.01 177.99 3jyh h LEU 377 N 0.13 0.58 -0.49 1.64 3.38 -1.77 -2.73 115.31 116.05 3jyh h LEU 377 Ca 0.05 -0.10 0.01 0.00 0.09 0.00 0.00 57.88 57.93 3jyh h LEU 377 Cb 0.07 -0.15 -0.03 0.00 0.09 0.00 0.00 40.66 40.65 3jyh h LEU 377 CO -0.01 0.52 0.31 -0.09 0.09 0.00 0.00 178.44 179.26 3jyh h ARG 378 N 0.60 0.61 -0.52 1.13 2.43 -0.96 -1.86 114.38 115.82 3jyh h ARG 378 Ca 0.16 -0.04 0.06 0.00 -0.81 0.00 0.00 59.98 59.35 3jyh h ARG 378 Cb 0.08 -0.14 -0.05 0.00 -0.42 0.00 0.00 29.97 29.43 3jyh h ARG 378 CO -0.02 0.41 0.22 0.37 -1.51 0.00 0.00 179.97 179.43 3jyh h GLN 379 N 0.63 0.41 -0.40 0.20 4.15 -0.54 0.14 115.11 119.70 3jyh h GLN 379 Ca 0.19 -0.02 -0.15 0.00 0.77 0.00 0.00 58.65 59.43 3jyh h GLN 379 Cb -0.04 -0.09 -0.01 0.00 0.21 0.00 0.00 27.48 27.55 3jyh h GLN 379 CO -0.06 0.27 -0.36 0.00 -1.93 0.00 0.00 178.83 176.76 3jyh h ARG 380 N 0.43 0.94 -0.26 1.69 3.08 -1.25 -1.28 114.38 117.72 3jyh h ARG 380 Ca 0.24 -0.48 0.04 0.00 0.07 0.00 0.00 59.98 59.85 3jyh h ARG 380 Cb 0.22 0.01 -0.04 0.00 0.08 0.00 0.00 29.97 30.24 3jyh h ARG 380 CO -0.21 1.14 0.05 -0.92 -1.07 0.00 0.00 179.97 178.95 3jyh h TYR 381 N 0.78 0.08 -0.28 3.04 3.20 -0.92 -2.05 116.97 120.81 3jyh h TYR 381 Ca 0.07 0.02 -0.17 0.00 3.14 0.00 0.00 58.73 61.79 3jyh h TYR 381 Cb 0.95 0.00 -0.00 0.00 1.54 0.00 0.00 36.73 39.22 3jyh h TYR 381 CO 0.06 0.02 -0.50 0.00 -1.64 0.00 0.00 178.16 176.10 3jyh h LEU 383 N 0.61 0.39 -0.45 0.00 3.38 -1.11 0.98 115.31 119.10 3jyh h LEU 383 Ca 0.03 -0.18 -0.02 0.00 0.09 0.00 0.00 57.88 57.80 3jyh h LEU 383 Cb 1.08 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.71 3jyh h LEU 383 CO 0.11 0.46 0.22 -0.78 0.09 0.00 0.00 178.44 178.54 3jyh h ASP 384 N 0.29 0.59 0.23 -0.43 3.58 -1.05 -0.78 116.42 118.85 3jyh h ASP 384 Ca 0.09 -0.12 -0.33 0.00 0.42 0.00 0.00 57.03 57.09 3jyh h ASP 384 Cb 0.20 -0.15 0.03 0.00 1.72 0.00 0.00 39.33 41.13 3jyh h ASP 384 CO -0.01 0.55 -1.48 0.74 -2.88 0.00 0.00 179.24 176.16 3jyh h THR 385 N 0.59 1.22 0.00 2.25 2.02 -1.04 -3.41 112.91 114.53 3jyh h THR 385 Ca 0.16 -2.63 0.00 0.00 0.77 0.00 0.00 66.41 64.70 3jyh h THR 385 Cb 0.11 2.99 0.00 0.00 -1.74 0.00 0.00 68.15 69.51 3jyh h THR 385 CO -0.02 0.81 -0.35 0.79 0.37 0.00 0.00 175.52 177.11 3jyh n TRP 386 N -3.74 0.00 -2.13 3.16 7.02 0.29 -4.85 117.44 117.20 3jyh n TRP 386 Ca -0.19 0.00 -0.10 0.00 -1.02 0.00 0.00 57.50 56.19 3jyh n TRP 386 Cb 1.07 0.00 -0.01 0.00 -2.42 0.00 0.00 31.31 29.95 3jyh n TRP 386 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 3jyh n GLY 387 N 1.41 0.04 3.33 6.99 0.00 -0.30 -4.73 105.19 111.93 3jyh n GLY 387 Ca 0.00 -0.46 -0.22 0.00 0.00 0.00 0.00 46.02 45.34 3jyh n GLY 387 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3jyh s VAL 388 N -2.51 1.81 -0.24 1.61 -7.23 -1.23 -4.95 120.40 107.66 3jyh s VAL 388 Ca 0.00 -1.86 -0.11 0.00 -1.81 0.00 0.00 61.98 58.20 3jyh s VAL 388 Cb 0.00 -1.80 -0.05 0.00 0.56 0.00 0.00 36.38 35.09 3jyh s VAL 388 CO 0.00 -0.27 0.19 0.26 -0.31 0.00 0.00 175.10 174.97 3jyh s TRP 389 N -1.90 3.32 0.79 2.82 0.51 -1.26 -2.92 118.94 120.30 3jyh s TRP 389 Ca 0.14 0.26 -0.15 0.00 -2.12 0.00 0.00 56.10 54.24 3jyh s TRP 389 Cb -0.06 -2.30 0.02 0.00 -0.81 0.00 0.00 33.47 30.32 3jyh s TRP 389 CO 0.06 0.05 0.82 -2.30 -0.51 0.00 0.00 176.95 175.07 3jyh n PRO 390 N 4.35 0.19 -3.76 4.98 -0.02 -1.18 -4.88 135.00 134.69 3jyh n PRO 390 Ca -0.14 0.12 -0.28 0.00 -2.02 0.00 0.00 63.50 61.19 3jyh n PRO 390 Cb 0.52 -2.11 -0.11 0.00 -0.02 0.00 0.00 33.50 31.77 3jyh n PRO 390 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 3jyh n ARG 391 N -1.97 1.38 0.05 -0.52 1.74 -0.79 -4.99 116.66 111.56 3jyh n ARG 391 Ca 0.11 -4.12 0.08 0.00 -0.77 0.00 0.00 57.85 53.15 3jyh n ARG 391 Cb 0.51 -2.11 0.35 0.00 -1.02 0.00 0.00 32.46 30.18 3jyh n ARG 391 CO 0.00 0.00 0.00 -2.30 -1.52 0.00 0.00 177.63 173.81 3jyh n PRO 392 N 2.19 0.06 0.06 5.56 -0.02 -1.26 -1.18 135.00 140.41 3jyh n PRO 392 Ca 0.23 0.35 0.08 0.00 -2.02 0.00 0.00 63.50 62.13 3jyh n PRO 392 Cb 0.39 -1.63 -0.06 0.00 -0.02 0.00 0.00 33.50 32.18 3jyh n PRO 392 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 3jyh n ASP 393 N -1.76 0.69 -0.24 2.55 5.75 -1.26 -4.59 116.55 117.68 3jyh n ASP 393 Ca 0.02 0.28 -0.03 0.00 -0.01 0.00 0.00 54.79 55.05 3jyh n ASP 393 Cb 0.16 0.64 0.14 0.00 -1.03 0.00 0.00 41.12 41.04 3jyh n ASP 393 CO 0.00 0.00 0.00 -0.25 -0.11 0.00 0.00 177.20 176.84 3jyh h TRP 394 N 0.00 1.07 -0.09 2.11 2.91 -1.50 -2.78 115.95 117.67 3jyh h TRP 394 Ca -0.06 -0.05 -0.12 0.00 1.13 0.00 0.00 58.89 59.79 3jyh h TRP 394 Cb 1.20 -0.33 -0.01 0.00 -0.51 0.00 0.00 29.16 29.51 3jyh h TRP 394 CO 0.00 0.78 -0.48 1.25 -1.03 0.00 0.00 178.44 178.96 3jyh h LEU 395 N 1.06 0.23 -0.24 0.65 5.85 -1.79 -0.20 115.31 120.87 3jyh h LEU 395 Ca 0.26 -0.11 -0.03 0.00 0.84 0.00 0.00 57.88 58.84 3jyh h LEU 395 Cb 0.12 -0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.08 3jyh h LEU 395 CO -0.03 0.68 0.03 0.25 -0.34 0.00 0.00 178.44 179.03 3jyh h LEU 396 N 0.17 0.39 0.40 2.25 5.85 -1.73 -0.04 115.31 122.60 3jyh h LEU 396 Ca 0.01 -0.27 -0.01 0.00 0.84 0.00 0.00 57.88 58.45 3jyh h LEU 396 Cb 0.91 -0.10 -0.02 0.00 0.37 0.00 0.00 40.66 41.82 3jyh h LEU 396 CO 0.07 0.56 -0.36 0.74 -0.34 0.00 0.00 178.44 179.11 3jyh h THR 397 N 0.20 0.26 -0.39 1.05 2.02 -1.20 -2.15 112.91 112.70 3jyh h THR 397 Ca 0.07 0.00 -0.04 0.00 0.77 0.00 0.00 66.41 67.21 3jyh h THR 397 Cb 0.34 0.26 -0.02 0.00 -1.74 0.00 0.00 68.15 66.99 3jyh h THR 397 CO 0.01 0.00 0.08 -1.28 0.37 0.00 0.00 175.52 174.69 3jyh h SER 398 N -0.78 0.60 0.00 4.18 0.87 -1.08 -3.37 113.55 113.98 3jyh h SER 398 Ca -0.03 -0.25 0.00 0.00 -1.23 0.00 0.00 61.79 60.28 3jyh h SER 398 Cb 0.69 -0.16 0.00 0.00 -0.44 0.00 0.00 62.40 62.49 3jyh h SER 398 CO -0.04 0.70 -0.00 0.49 -0.53 0.00 0.00 176.83 177.44 3jyh n PHE 399 N -4.55 0.00 -0.10 2.24 3.72 -0.03 -5.02 117.46 113.72 3jyh n PHE 399 Ca -0.01 -0.73 0.00 0.00 -0.05 0.00 0.00 57.45 56.66 3jyh n PHE 399 Cb 0.22 -0.10 0.00 0.00 -0.94 0.00 0.00 39.48 38.66 3jyh n PHE 399 CO 0.00 0.00 0.00 0.91 -0.05 0.00 0.00 176.76 177.62 3jyh n TRP 400 N -0.94 0.00 0.00 1.38 8.01 -0.81 -4.90 117.44 120.17 3jyh n TRP 400 Ca 0.08 0.00 0.00 0.00 -1.31 0.00 0.00 57.50 56.27 3jyh n TRP 400 Cb 0.44 0.00 0.00 0.00 -2.01 0.00 0.00 31.31 29.74 3jyh n TRP 400 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 3jyh n GLY 401 N -2.00 3.72 0.17 6.99 0.00 -1.25 -2.11 105.19 110.71 3jyh n GLY 401 Ca 0.00 -0.06 0.12 0.00 0.00 0.00 0.00 46.02 46.08 3jyh n GLY 401 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jyh n GLY 402 N 0.00 -0.79 3.49 -0.02 0.00 -1.26 -4.74 105.19 101.87 3jyh n GLY 402 Ca 0.00 -0.42 -0.43 0.00 0.00 0.00 0.00 46.02 45.16 3jyh n GLY 402 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 3jyh s ASP 403 N -2.70 6.77 -0.42 1.61 2.15 -0.90 -4.81 116.67 118.38 3jyh s ASP 403 Ca 0.18 -2.30 0.04 0.00 0.43 0.00 0.00 52.55 50.90 3jyh s ASP 403 Cb 0.18 -2.45 0.47 0.00 -0.30 0.00 0.00 42.92 40.82 3jyh s ASP 403 CO 0.61 -1.04 1.53 0.18 -0.17 0.00 0.00 175.17 176.27 3jyh n LEU 404 N 6.84 5.75 0.14 -1.34 4.77 -1.26 -4.69 117.00 127.21 3jyh n LEU 404 Ca 0.32 -4.43 -0.00 0.00 -0.03 0.00 0.00 56.01 51.87 3jyh n LEU 404 Cb 0.47 -0.61 0.26 0.00 -2.33 0.00 0.00 43.42 41.21 3jyh n LEU 404 CO 0.60 1.75 0.63 0.03 -1.33 0.00 0.00 177.39 179.06 3jyh h ARG 405 N 1.91 0.08 0.00 3.23 3.08 -1.92 -2.85 114.38 117.91 3jyh h ARG 405 Ca 0.43 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.44 3jyh h ARG 405 Cb 1.34 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 3jyh h ARG 405 CO 0.98 0.53 -0.24 0.00 -1.07 0.00 0.00 179.97 180.17 3jyh n ALA 406 N -2.46 2.84 -1.78 0.04 0.00 -1.26 -4.89 120.51 112.99 3jyh n ALA 406 Ca -0.02 -0.20 -0.31 0.00 0.00 0.00 0.00 53.44 52.91 3jyh n ALA 406 Cb 0.49 -1.31 0.03 0.00 0.00 0.00 0.00 19.45 18.66 3jyh n ALA 406 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3jyh s ALA 407 N -3.02 2.91 0.06 0.00 0.00 -1.08 -5.09 121.76 115.55 3jyh s ALA 407 Ca 0.12 -0.11 -0.15 0.00 0.00 0.00 0.00 51.96 51.83 3jyh s ALA 407 Cb 0.17 -3.09 0.03 0.00 0.00 0.00 0.00 23.12 20.23 3jyh s ALA 407 CO 0.62 -0.96 0.34 -1.54 0.00 0.00 0.00 175.76 174.22 3jyh s SER 408 N -4.11 -0.17 -1.00 0.00 1.04 -1.26 -4.82 113.70 103.38 3jyh s SER 408 Ca 0.57 -0.21 -0.02 0.00 0.48 0.00 0.00 55.95 56.77 3jyh s SER 408 Cb -0.12 0.40 -0.02 0.00 0.10 0.00 0.00 66.02 66.38 3jyh s SER 408 CO 0.54 -0.69 0.85 0.59 0.98 0.00 0.00 173.24 175.51 3jyh n ASN 409 N 0.33 -3.33 -3.88 7.02 4.13 -0.88 -4.88 115.26 113.76 3jyh n ASN 409 Ca -0.18 -0.56 -0.19 0.00 1.68 0.00 0.00 54.58 55.33 3jyh n ASN 409 Cb 0.61 -4.56 -0.16 0.00 -1.54 0.00 0.00 39.78 34.13 3jyh n ASN 409 CO 0.00 0.00 0.00 -0.63 0.28 0.00 0.00 177.26 176.91 3jyh s ILE 410 N -3.32 0.43 -0.24 2.41 1.01 -0.82 -1.13 121.20 119.54 3jyh s ILE 410 Ca 0.13 -0.08 -0.10 0.00 0.00 0.00 0.00 60.65 60.59 3jyh s ILE 410 Cb -0.02 -0.46 -0.05 0.00 0.01 0.00 0.00 42.46 41.94 3jyh s ILE 410 CO 0.64 0.19 0.16 -0.63 0.00 0.00 0.00 174.94 175.30 3jyh s ILE 411 N 0.80 5.36 -0.42 2.92 1.01 -0.35 -0.73 121.20 129.79 3jyh s ILE 411 Ca -0.10 0.18 -0.11 0.00 0.00 0.00 0.00 60.65 60.62 3jyh s ILE 411 Cb -0.13 -3.50 0.06 0.00 0.01 0.00 0.00 42.46 38.91 3jyh s ILE 411 CO -0.00 0.35 0.28 -0.36 0.00 0.00 0.00 174.94 175.21 3jyh s PHE 412 N 1.02 3.29 0.07 3.97 0.08 0.34 -1.04 117.98 125.71 3jyh s PHE 412 Ca 0.08 -1.23 0.01 0.00 0.12 0.00 0.00 56.93 55.91 3jyh s PHE 412 Cb -0.13 -2.89 -0.04 0.00 -0.57 0.00 0.00 43.02 39.39 3jyh s PHE 412 CO 0.04 -0.79 0.16 -1.54 -0.10 0.00 0.00 175.22 173.00 3jyh s SER 413 N 2.11 6.03 -0.05 1.36 1.04 -0.99 0.06 113.70 123.25 3jyh s SER 413 Ca 0.03 0.16 -0.16 0.00 0.48 0.00 0.00 55.95 56.45 3jyh s SER 413 Cb -0.22 -1.77 0.03 0.00 0.10 0.00 0.00 66.02 64.16 3jyh s SER 413 CO 0.04 0.17 0.37 0.20 0.98 0.00 0.00 173.24 175.00 3jyh s ASN 414 N -2.49 -0.30 -0.05 7.02 0.01 0.27 -0.74 114.94 118.66 3jyh s ASN 414 Ca 0.33 0.32 -0.09 0.00 -0.71 0.00 0.00 52.86 52.71 3jyh s ASN 414 Cb -0.13 0.45 -0.05 0.00 0.41 0.00 0.00 41.25 41.94 3jyh s ASN 414 CO 0.26 -0.40 0.25 -0.83 -1.51 0.00 0.00 177.10 174.87 3jyh s GLY 415 N -0.97 2.27 0.51 0.66 0.00 -1.25 -0.15 107.32 108.39 3jyh s GLY 415 Ca -0.10 -0.51 0.27 0.00 0.00 0.00 0.00 44.72 44.38 3jyh s GLY 415 CO 0.04 -0.25 2.03 3.45 0.00 0.00 0.00 173.10 178.37 3jyh h ASN 416 N 4.60 0.00 1.16 1.64 -1.07 -1.20 -1.93 115.58 118.79 3jyh h ASN 416 Ca -0.53 0.00 0.00 0.00 0.07 0.00 0.00 56.30 55.84 3jyh h ASN 416 Cb 1.22 0.00 0.00 0.00 -2.07 0.00 0.00 38.32 37.47 3jyh h ASN 416 CO 0.61 0.14 -0.10 0.18 0.07 0.00 0.00 177.43 178.33 3jyh n LEU 417 N -3.56 0.47 -4.66 6.14 4.77 -0.63 -4.84 117.00 114.70 3jyh n LEU 417 Ca -0.01 0.47 -0.42 0.00 -0.03 0.00 0.00 56.01 56.01 3jyh n LEU 417 Cb 0.28 -0.37 -0.03 0.00 -2.33 0.00 0.00 43.42 40.97 3jyh n LEU 417 CO 0.30 -0.08 0.76 -0.62 -1.33 0.00 0.00 177.39 176.43 3jyh s ASP 418 N -3.80 7.01 0.60 -1.43 2.15 -0.73 -4.73 116.67 115.74 3jyh s ASP 418 Ca 0.11 1.26 0.39 0.00 0.43 0.00 0.00 52.55 54.75 3jyh s ASP 418 Cb 0.15 -2.49 2.03 0.00 -0.30 0.00 0.00 42.92 42.31 3jyh s ASP 418 CO 0.59 -0.54 2.20 1.55 -0.17 0.00 0.00 175.17 178.80 3jyh h PRO 419 N 7.45 0.00 0.00 4.34 0.13 -1.87 -1.04 132.00 141.00 3jyh h PRO 419 Ca -0.24 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.89 3jyh h PRO 419 Cb 1.10 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.23 3jyh h PRO 419 CO 0.90 0.00 0.00 0.91 -0.23 0.00 0.00 178.00 179.58 3jyh n TRP 420 N -2.97 0.77 -0.16 1.56 7.02 -1.26 -4.02 117.44 118.37 3jyh n TRP 420 Ca -0.02 0.24 -0.03 0.00 -1.02 0.00 0.00 57.50 56.67 3jyh n TRP 420 Cb 0.13 -0.89 0.06 0.00 -2.42 0.00 0.00 31.31 28.18 3jyh n TRP 420 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3jyh h ALA 421 N 2.53 0.60 0.00 6.99 0.00 -1.44 -0.89 119.26 127.05 3jyh h ALA 421 Ca 0.00 0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.97 3jyh h ALA 421 Cb 0.62 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.43 3jyh h ALA 421 CO 0.00 -0.20 0.00 0.41 0.00 0.00 0.00 179.25 179.46 3jyh n GLY 422 N -1.26 -0.66 1.23 0.00 0.00 -1.26 -1.27 105.19 101.98 3jyh n GLY 422 Ca 0.05 -0.05 0.12 0.00 0.00 0.00 0.00 46.02 46.14 3jyh n GLY 422 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jyh n GLY 423 N -0.42 2.02 0.00 -0.02 0.00 -0.34 -4.86 105.19 101.56 3jyh n GLY 423 Ca 0.05 -0.76 0.00 0.00 0.00 0.00 0.00 46.02 45.30 3jyh n GLY 423 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3jyh n GLY 424 N 1.56 4.49 3.64 -0.02 0.00 -0.40 -1.14 105.19 113.33 3jyh n GLY 424 Ca 0.21 -2.15 -0.41 0.00 0.00 0.00 0.00 46.02 43.68 3jyh n GLY 424 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 3jyh s ILE 425 N -0.92 4.93 -0.37 -0.61 -1.09 -1.26 -4.78 121.20 117.10 3jyh s ILE 425 Ca 0.00 1.36 0.04 0.00 -2.23 0.00 0.00 60.65 59.83 3jyh s ILE 425 Cb 0.00 -4.03 -0.01 0.00 -1.58 0.00 0.00 42.46 36.84 3jyh s ILE 425 CO 0.00 0.01 0.38 0.54 -1.23 0.00 0.00 174.94 174.64 3jyh n ARG 426 N 5.62 3.00 -4.27 2.79 5.12 -1.26 -4.79 116.66 122.86 3jyh n ARG 426 Ca 0.02 -0.34 -0.20 0.00 -1.93 0.00 0.00 57.85 55.40 3jyh n ARG 426 Cb 0.49 -0.87 -0.13 0.00 -1.16 0.00 0.00 32.46 30.79 3jyh n ARG 426 CO 0.00 0.00 0.00 1.03 -1.93 0.00 0.00 177.63 176.73 3jyh s ARG 427 N -0.95 0.94 0.10 5.56 1.81 -1.26 -4.88 118.95 120.27 3jyh s ARG 427 Ca 0.03 -0.93 -0.35 0.00 -1.72 0.00 0.00 55.73 52.76 3jyh s ARG 427 Cb 0.03 -1.00 -0.15 0.00 -0.45 0.00 0.00 34.95 33.38 3jyh s ARG 427 CO 0.12 0.24 1.51 0.09 -0.68 0.00 0.00 175.30 176.58 3jyh n ASN 428 N 1.47 2.53 -0.01 0.23 3.02 -1.26 -4.39 115.26 116.85 3jyh n ASN 428 Ca -0.20 1.09 0.09 0.00 -0.03 0.00 0.00 54.58 55.53 3jyh n ASN 428 Cb 0.54 -1.32 -0.14 0.00 -0.61 0.00 0.00 39.78 38.26 3jyh n ASN 428 CO 0.00 0.00 0.00 0.18 -2.62 0.00 0.00 177.26 174.82 3jyh n LEU 429 N 3.37 0.10 0.00 3.41 4.77 -0.14 -4.94 117.00 123.57 3jyh n LEU 429 Ca 0.18 -0.06 -0.04 0.00 -0.03 0.00 0.00 56.01 56.06 3jyh n LEU 429 Cb 0.24 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.35 3jyh n LEU 429 CO 0.64 0.02 0.57 -1.54 -1.33 0.00 0.00 177.39 175.76 3jyh n SER 430 N -2.04 -1.58 0.23 -1.43 3.41 -1.10 -4.95 113.62 106.16 3jyh n SER 430 Ca -0.03 -1.94 0.07 0.00 -0.26 0.00 0.00 58.87 56.71 3jyh n SER 430 Cb 0.45 2.59 0.58 0.00 -0.26 0.00 0.00 64.21 67.58 3jyh n SER 430 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3jyh h ALA 431 N 2.00 1.89 -0.00 7.33 0.00 -1.98 -3.20 119.26 125.30 3jyh h ALA 431 Ca -0.24 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 54.62 3jyh h ALA 431 Cb 0.98 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.75 3jyh h ALA 431 CO 0.31 0.09 -0.07 -1.13 0.00 0.00 0.00 179.25 178.44 3jyh n SER 432 N -4.47 0.80 -4.25 0.00 3.41 -1.26 -4.87 113.62 102.98 3jyh n SER 432 Ca -0.03 -0.90 -0.41 0.00 -0.26 0.00 0.00 58.87 57.28 3jyh n SER 432 Cb 0.14 0.45 -0.09 0.00 -0.26 0.00 0.00 64.21 64.44 3jyh n SER 432 CO 0.00 0.00 0.00 -0.69 -0.16 0.00 0.00 175.04 174.19 3jyh s VAL 433 N -0.78 4.24 -0.08 -3.33 1.01 -1.21 -1.94 120.40 118.32 3jyh s VAL 433 Ca 0.03 -1.52 0.02 0.00 0.00 0.00 0.00 61.98 60.52 3jyh s VAL 433 Cb 0.03 -3.66 -0.02 0.00 0.00 0.00 0.00 36.38 32.73 3jyh s VAL 433 CO 0.09 -0.60 -0.14 -0.63 0.00 0.00 0.00 175.10 173.82 3jyh s ILE 434 N 1.41 3.03 -0.12 2.22 -1.09 0.09 -0.96 121.20 125.77 3jyh s ILE 434 Ca 0.04 -0.71 -0.05 0.00 -2.23 0.00 0.00 60.65 57.70 3jyh s ILE 434 Cb -0.24 -2.21 -0.04 0.00 -1.58 0.00 0.00 42.46 38.39 3jyh s ILE 434 CO 0.01 0.57 0.04 0.00 -1.23 0.00 0.00 174.94 174.33 3jyh s ALA 435 N -0.34 3.41 -0.08 9.38 0.00 -1.26 0.13 121.76 132.99 3jyh s ALA 435 Ca 0.03 -0.76 0.03 0.00 0.00 0.00 0.00 51.96 51.27 3jyh s ALA 435 Cb -0.13 -1.70 0.01 0.00 0.00 0.00 0.00 23.12 21.30 3jyh s ALA 435 CO 0.02 0.45 -0.18 0.08 0.00 0.00 0.00 175.76 176.13 3jyh s VAL 436 N -0.46 1.61 -0.16 0.00 1.01 0.11 -4.69 120.40 117.82 3jyh s VAL 436 Ca 0.09 -0.76 -0.03 0.00 0.00 0.00 0.00 61.98 61.29 3jyh s VAL 436 Cb -0.12 -1.42 -0.02 0.00 0.00 0.00 0.00 36.38 34.82 3jyh s VAL 436 CO 0.02 0.46 -0.05 -0.89 0.00 0.00 0.00 175.10 174.64 3jyh s THR 437 N 0.50 3.69 -0.41 3.92 2.01 -1.26 -0.57 115.64 123.53 3jyh s THR 437 Ca -0.17 -0.43 -0.09 0.00 0.31 0.00 0.00 61.69 61.31 3jyh s THR 437 Cb -0.17 -2.61 0.07 0.00 0.01 0.00 0.00 72.50 69.80 3jyh s THR 437 CO 0.06 0.49 0.24 -0.63 -0.69 0.00 0.00 174.62 174.10 3jyh s ILE 438 N 0.46 4.26 -0.04 1.82 1.09 0.79 -4.96 121.20 124.61 3jyh s ILE 438 Ca -0.05 -1.30 -0.30 0.00 -1.10 0.00 0.00 60.65 57.91 3jyh s ILE 438 Cb -0.15 -3.56 -0.06 0.00 -1.06 0.00 0.00 42.46 37.64 3jyh s ILE 438 CO 0.03 -0.45 1.64 -1.58 -0.10 0.00 0.00 174.94 174.49 3jyh s GLN 439 N 1.44 4.19 0.00 2.79 2.00 -1.26 -1.90 119.66 126.92 3jyh s GLN 439 Ca 0.03 2.19 0.00 0.00 -2.00 0.00 0.00 55.36 55.57 3jyh s GLN 439 Cb -0.22 -3.94 0.00 0.00 0.80 0.00 0.00 33.01 29.65 3jyh s GLN 439 CO 0.03 -0.83 0.00 0.41 -0.50 0.00 0.00 175.29 174.40 3jyh n GLY 440 N 4.10 0.53 3.84 2.59 0.00 -1.26 -4.57 105.19 110.42 3jyh n GLY 440 Ca 0.17 -0.16 -0.37 0.00 0.00 0.00 0.00 46.02 45.66 3jyh n GLY 440 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 3jyh s GLY 441 N -2.14 2.21 0.00 -0.02 0.00 -0.81 -4.85 107.32 101.71 3jyh s GLY 441 Ca 0.00 -0.55 0.00 0.00 0.00 0.00 0.00 44.72 44.17 3jyh s GLY 441 CO 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 173.10 172.96 3jyh n ALA 442 N 2.28 0.00 -2.46 3.20 0.00 -1.26 -1.60 120.51 120.67 3jyh n ALA 442 Ca -0.18 0.00 -0.43 0.00 0.00 0.00 0.00 53.44 52.84 3jyh n ALA 442 Cb 0.54 0.00 -0.02 0.00 0.00 0.00 0.00 19.45 19.97 3jyh n ALA 442 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.50 175.92 3jyh s HIS 443 N 2.95 2.91 -0.53 0.00 2.46 -0.20 -3.77 115.29 119.11 3jyh s HIS 443 Ca 0.00 1.07 -0.15 0.00 0.47 0.00 0.00 55.06 56.45 3jyh s HIS 443 Cb 0.00 -3.50 0.02 0.00 -0.13 0.00 0.00 32.58 28.98 3jyh s HIS 443 CO 0.00 -1.51 0.30 -2.39 -2.47 0.00 0.00 174.74 168.67 3jyh n HIS 444 N 6.64 -0.61 0.03 3.88 1.44 -1.26 -4.86 115.22 120.47 3jyh n HIS 444 Ca 0.14 0.03 -0.04 0.00 -2.01 0.00 0.00 57.72 55.84 3jyh n HIS 444 Cb 0.45 -1.22 0.18 0.00 0.12 0.00 0.00 29.99 29.53 3jyh n HIS 444 CO 0.00 0.00 0.00 1.25 -2.81 0.00 0.00 176.34 174.78 3jyh h LEU 445 N 0.55 0.44 -2.25 2.39 5.85 -1.94 -3.14 115.31 117.22 3jyh h LEU 445 Ca -0.32 -0.17 0.05 0.00 0.84 0.00 0.00 57.88 58.28 3jyh h LEU 445 Cb 0.62 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 41.52 3jyh h LEU 445 CO 0.23 0.76 0.20 -2.24 -0.34 0.00 0.00 178.44 177.05 3jyh h ASP 446 N 0.37 0.00 1.61 1.25 2.03 -1.93 -2.15 116.42 117.60 3jyh h ASP 446 Ca 0.04 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 56.34 3jyh h ASP 446 Cb 0.78 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.28 3jyh h ASP 446 CO 0.06 0.00 -0.18 -0.07 -1.03 0.00 0.00 179.24 178.02 3jyh h LEU 447 N 0.00 0.00-10.21 0.15 3.38 -1.90 -3.44 115.31 103.29 3jyh h LEU 447 Ca 0.08 -0.02 -0.51 0.00 0.09 0.00 0.00 57.88 57.52 3jyh h LEU 447 Cb 0.48 0.00 0.10 0.00 0.09 0.00 0.00 40.66 41.33 3jyh h LEU 447 CO -0.00 0.01 0.37 -0.13 0.09 0.00 0.00 178.44 178.78 3jyh s ARG 448 N -3.19 2.83 0.44 1.13 0.52 -0.81 -0.75 118.95 119.12 3jyh s ARG 448 Ca 0.07 1.33 -0.25 0.00 -0.52 0.00 0.00 55.73 56.37 3jyh s ARG 448 Cb 0.09 -1.96 -0.08 0.00 0.52 0.00 0.00 34.95 33.52 3jyh s ARG 448 CO 0.67 -1.22 1.31 0.00 0.02 0.00 0.00 175.30 176.08 3jyh s ALA 449 N -2.42 3.15 0.32 2.13 0.00 -1.26 -3.20 121.76 120.48 3jyh s ALA 449 Ca 0.66 1.24 -0.27 0.00 0.00 0.00 0.00 51.96 53.59 3jyh s ALA 449 Cb -0.19 -3.50 -0.13 0.00 0.00 0.00 0.00 23.12 19.29 3jyh s ALA 449 CO 0.43 -0.94 1.00 0.43 0.00 0.00 0.00 175.76 176.68 3jyh n SER 450 N -0.19 1.28 -3.97 0.00 7.64 -1.26 -4.90 113.62 112.22 3jyh n SER 450 Ca 0.05 1.14 -0.12 0.00 1.01 0.00 0.00 58.87 60.95 3jyh n SER 450 Cb 0.44 -1.30 -0.13 0.00 -1.01 0.00 0.00 64.21 62.21 3jyh n SER 450 CO 0.00 0.00 0.00 -2.28 -3.01 0.00 0.00 175.04 169.75 3jyh s HIS 451 N -1.12 0.37 0.44 1.43 5.04 -1.26 -5.05 115.29 115.14 3jyh s HIS 451 Ca 0.59 -0.30 0.15 0.00 -1.54 0.00 0.00 55.06 53.97 3jyh s HIS 451 Cb -0.66 -0.24 1.06 0.00 0.04 0.00 0.00 32.58 32.78 3jyh s HIS 451 CO 0.60 -0.07 1.97 -1.00 -2.34 0.00 0.00 174.74 173.90 3jyh h PRO 452 N 5.27 0.36 -0.15 2.88 0.13 -2.02 -2.02 132.00 136.46 3jyh h PRO 452 Ca -0.30 -0.02 0.00 0.00 -0.87 0.00 0.00 66.00 64.81 3jyh h PRO 452 Cb 1.20 -0.08 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3jyh h PRO 452 CO 0.45 0.24 0.00 0.39 -0.23 0.00 0.00 178.00 178.85 3jyh n GLU 453 N -4.46 1.37 -1.79 0.86 -0.58 -1.26 -4.89 120.64 109.87 3jyh n GLU 453 Ca 0.10 -0.57 -0.41 0.00 -0.42 0.00 0.00 57.16 55.86 3jyh n GLU 453 Cb 0.41 -1.17 -0.01 0.00 -0.57 0.00 0.00 31.44 30.10 3jyh n GLU 453 CO 0.00 0.00 0.00 -0.51 -0.48 0.00 0.00 177.13 176.14 3jyh s ASP 454 N -1.11 6.36 0.58 1.62 1.01 -0.76 -4.79 116.67 119.58 3jyh s ASP 454 Ca 0.14 3.01 -0.19 0.00 0.71 0.00 0.00 52.55 56.22 3jyh s ASP 454 Cb 0.07 -2.65 -0.04 0.00 1.01 0.00 0.00 42.92 41.31 3jyh s ASP 454 CO 0.10 -0.89 1.20 -2.16 0.21 0.00 0.00 175.17 173.64 3jyh s PRO 455 N -1.43 3.05 0.26 8.23 0.04 -1.26 -4.93 135.00 138.96 3jyh s PRO 455 Ca 0.57 1.82 -0.02 0.00 0.04 0.00 0.00 61.00 63.41 3jyh s PRO 455 Cb -0.47 -1.97 0.46 0.00 0.04 0.00 0.00 34.50 32.56 3jyh s PRO 455 CO 0.57 -1.14 1.84 0.00 0.04 0.00 0.00 177.00 178.31 3jyh h ALA 456 N 0.99 1.36 -0.97 8.56 0.00 -1.94 -2.30 119.26 124.96 3jyh h ALA 456 Ca -0.50 0.01 0.08 0.00 0.00 0.00 0.00 54.91 54.49 3jyh h ALA 456 Cb 1.29 -0.21 -0.07 0.00 0.00 0.00 0.00 17.79 18.81 3jyh h ALA 456 CO 0.56 0.24 0.62 1.03 0.00 0.00 0.00 179.25 181.70 3jyh h SER 457 N 0.97 0.97 0.06 0.00 0.87 -1.92 -0.59 113.55 113.91 3jyh h SER 457 Ca 0.44 0.01 -0.24 0.00 -1.23 0.00 0.00 61.79 60.78 3jyh h SER 457 Cb 0.36 -0.19 0.01 0.00 -0.44 0.00 0.00 62.40 62.14 3jyh h SER 457 CO -0.23 0.60 -0.92 1.62 -0.53 0.00 0.00 176.83 177.37 3jyh h VAL 458 N 1.08 1.31 -0.76 2.23 3.04 -1.68 -0.56 116.25 120.93 3jyh h VAL 458 Ca 0.43 -2.20 0.07 0.00 -1.01 0.00 0.00 66.70 63.99 3jyh h VAL 458 Cb 0.24 2.25 -0.06 0.00 -2.01 0.00 0.00 31.29 31.71 3jyh h VAL 458 CO -0.18 0.68 0.43 0.58 -1.01 0.00 0.00 177.57 178.07 3jyh h VAL 459 N 0.39 0.95 -0.09 1.51 2.07 -1.23 -0.18 116.25 119.67 3jyh h VAL 459 Ca -0.09 -0.26 -0.14 0.00 0.82 0.00 0.00 66.70 67.03 3jyh h VAL 459 Cb 1.55 0.12 -0.01 0.00 -1.52 0.00 0.00 31.29 31.44 3jyh h VAL 459 CO 0.18 0.14 -0.56 -0.33 0.02 0.00 0.00 177.57 177.01 3jyh h GLU 460 N 0.76 0.28 -0.31 1.57 4.39 -1.06 -2.32 114.58 117.89 3jyh h GLU 460 Ca 0.35 -0.18 -0.08 0.00 0.34 0.00 0.00 59.36 59.79 3jyh h GLU 460 Cb 0.26 0.02 -0.01 0.00 -0.10 0.00 0.00 28.75 28.92 3jyh h GLU 460 CO -0.21 0.77 -0.12 0.00 -1.16 0.00 0.00 179.01 178.29 3jyh h ALA 461 N 1.19 0.43 -0.16 3.43 0.00 -0.66 -2.35 119.26 121.14 3jyh h ALA 461 Ca 0.00 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.53 3jyh h ALA 461 Cb 1.05 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.72 3jyh h ALA 461 CO 0.09 0.31 -0.19 0.00 0.00 0.00 0.00 179.25 179.46 3jyh h ARG 462 N 0.39 0.26 -0.34 0.00 3.08 -1.01 -0.09 114.38 116.67 3jyh h ARG 462 Ca 0.07 -0.07 -0.02 0.00 0.07 0.00 0.00 59.98 60.03 3jyh h ARG 462 Cb 0.63 -0.03 -0.01 0.00 0.08 0.00 0.00 29.97 30.64 3jyh h ARG 462 CO 0.04 0.45 0.13 0.87 -1.07 0.00 0.00 179.97 180.39 3jyh h LYS 463 N 0.24 0.52 -0.54 0.04 1.57 -1.34 -0.42 116.57 116.64 3jyh h LYS 463 Ca 0.04 -0.10 -0.03 0.00 -1.87 0.00 0.00 60.65 58.70 3jyh h LYS 463 Cb 0.48 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.68 3jyh h LYS 463 CO 0.03 0.53 0.24 1.25 -0.57 0.00 0.00 179.45 180.92 3jyh h LEU 464 N 0.41 0.73 0.52 2.94 5.85 -0.98 -0.96 115.31 123.80 3jyh h LEU 464 Ca 0.11 -0.15 -0.03 0.00 0.84 0.00 0.00 57.88 58.66 3jyh h LEU 464 Cb 0.21 -0.19 0.01 0.00 0.37 0.00 0.00 40.66 41.06 3jyh h LEU 464 CO -0.01 0.68 -0.25 -0.33 -0.34 0.00 0.00 178.44 178.19 3jyh h GLU 465 N 0.73 -0.67 -0.56 1.25 5.08 -0.95 -1.23 114.58 118.23 3jyh h GLU 465 Ca 0.18 0.05 0.11 0.00 -1.00 0.00 0.00 59.36 58.70 3jyh h GLU 465 Cb 0.16 0.15 -0.09 0.00 0.50 0.00 0.00 28.75 29.47 3jyh h GLU 465 CO -0.02 -0.44 -0.01 0.00 -1.00 0.00 0.00 179.01 177.54 3jyh h ALA 466 N -0.21 0.54 -0.93 3.43 0.00 -0.99 0.98 119.26 122.08 3jyh h ALA 466 Ca -0.07 0.17 -0.01 0.00 0.00 0.00 0.00 54.91 55.00 3jyh h ALA 466 Cb 0.53 0.30 -0.04 0.00 0.00 0.00 0.00 17.79 18.58 3jyh h ALA 466 CO 0.12 -0.39 0.54 1.15 0.00 0.00 0.00 179.25 180.66 3jyh h THR 467 N 0.11 1.26 0.06 0.00 2.02 -1.00 -0.30 112.91 115.07 3jyh h THR 467 Ca 0.29 -0.60 -0.26 0.00 0.77 0.00 0.00 66.41 66.61 3jyh h THR 467 Cb 0.45 -0.03 0.01 0.00 -1.74 0.00 0.00 68.15 66.85 3jyh h THR 467 CO -0.48 0.28 -1.11 0.40 0.37 0.00 0.00 175.52 174.99 3jyh h ILE 468 N 1.29 1.38 -0.31 3.11 2.04 -0.59 -2.58 117.51 121.85 3jyh h ILE 468 Ca 0.33 -2.57 -0.07 0.00 1.00 0.00 0.00 64.86 63.55 3jyh h ILE 468 Cb -0.02 2.61 -0.02 0.00 -0.74 0.00 0.00 36.82 38.66 3jyh h ILE 468 CO -0.06 0.77 -0.09 0.40 0.00 0.00 0.00 178.15 179.17 3jyh h ILE 469 N 0.22 1.22 -0.02 -0.67 2.04 -0.62 -1.38 117.51 118.31 3jyh h ILE 469 Ca -0.13 -0.97 -0.00 0.00 1.00 0.00 0.00 64.86 64.76 3jyh h ILE 469 Cb 1.77 1.10 -0.00 0.00 -0.74 0.00 0.00 36.82 38.95 3jyh h ILE 469 CO 0.20 0.32 0.00 1.23 0.00 0.00 0.00 178.15 179.90 3jyh h GLY 470 N 0.91 0.03 0.22 5.37 0.00 -1.06 -2.31 103.07 106.22 3jyh h GLY 470 Ca 0.09 -0.02 0.14 0.00 0.00 0.00 0.00 47.33 47.55 3jyh h GLY 470 CO 0.02 0.02 0.39 0.83 0.00 0.00 0.00 176.54 177.80 3jyh h GLU 471 N -0.21 0.55 -0.43 4.80 3.07 -1.22 -0.57 114.58 120.57 3jyh h GLU 471 Ca 0.00 -0.03 -0.02 0.00 -0.50 0.00 0.00 59.36 58.81 3jyh h GLU 471 Cb 0.24 -0.12 -0.02 0.00 -0.84 0.00 0.00 28.75 28.00 3jyh h GLU 471 CO 0.00 0.36 0.20 -1.49 -1.40 0.00 0.00 179.01 176.68 3jyh h TRP 472 N 0.56 0.62 0.05 4.33 6.55 -1.16 -0.65 115.95 126.26 3jyh h TRP 472 Ca 0.44 -0.03 -0.00 0.00 0.95 0.00 0.00 58.89 60.24 3jyh h TRP 472 Cb 0.62 -0.19 0.00 0.00 -0.86 0.00 0.00 29.16 28.73 3jyh h TRP 472 CO -0.12 0.51 -0.02 0.28 -1.05 0.00 0.00 178.44 178.04 3jyh h VAL 473 N 0.55 1.21 -0.67 1.49 2.07 -0.88 -1.97 116.25 118.04 3jyh h VAL 473 Ca 0.15 -0.87 0.10 0.00 0.82 0.00 0.00 66.70 66.89 3jyh h VAL 473 Cb 0.13 1.78 -0.07 0.00 -1.52 0.00 0.00 31.29 31.61 3jyh h VAL 473 CO -0.02 0.22 0.30 0.11 0.02 0.00 0.00 177.57 178.21 3jyh h LYS 474 N -0.45 0.50 0.00 1.57 6.56 -1.11 -1.26 116.57 122.38 3jyh h LYS 474 Ca -0.01 -0.03 -0.04 0.00 -1.06 0.00 0.00 60.65 59.51 3jyh h LYS 474 Cb 0.41 -0.11 -0.01 0.00 -0.57 0.00 0.00 32.23 31.95 3jyh h LYS 474 CO 0.01 0.33 -0.21 0.00 -2.06 0.00 0.00 179.45 177.53 3jyh h ALA 475 N 1.43 0.97 -0.06 3.86 0.00 -1.08 -2.74 119.26 121.64 3jyh h ALA 475 Ca 0.34 -0.19 -0.21 0.00 0.00 0.00 0.00 54.91 54.85 3jyh h ALA 475 Cb 0.39 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.15 3jyh h ALA 475 CO -0.29 0.26 -0.84 0.00 0.00 0.00 0.00 179.25 178.38 3jyh h ALA 476 N 1.79 0.41 0.00 0.00 0.00 -0.52 -3.22 119.26 117.73 3jyh h ALA 476 Ca -0.00 -0.65 0.00 0.00 0.00 0.00 0.00 54.91 54.26 3jyh h ALA 476 Cb 0.82 -0.03 0.00 0.00 0.00 0.00 0.00 17.79 18.58 3jyh h ALA 476 CO 0.03 0.75 0.00 0.54 0.00 0.00 0.00 179.25 180.57 3jyh n ARG 477 N -3.83 0.04 0.00 0.00 3.00 -0.56 -5.00 116.66 110.31 3jyh n ARG 477 Ca -0.06 0.52 0.00 0.00 -0.01 0.00 0.00 57.85 58.30 3jyh n ARG 477 Cb 0.77 -1.64 0.00 0.00 0.00 0.00 0.00 32.46 31.60 3jyh n ARG 477 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.63 178.17